-
1,1-dioxo-1,2-benzothiazol-3-one Molecule
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-N Molecular Formula C7H5NO3S
Related Dataset(s)
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 20 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
- Saccharin; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 150 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 10 V
- Saccharin; LC-ESI-QTOF; MS2; 130 V
- Saccharin; LC-ESI-QTOF; MS2; 50 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
- correlation spectroscopy (COSY)
- Saccharin; LC-ESI-QTOF; MS2; 70 V
- Saccharin; LC-ESI-QTOF; MS2; 80 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 60 V
- distortionless enhancement with polarization transfer (DEPT)
- SACCHARIN; EI-B; MS
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 30 V
- Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 140 V
- Saccharin; LC-ESI-QTOF; MS2; 90 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- Saccharin; LC-ESI-QTOF; MS2; 100 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- Saccharin; LC-ESI-QTOF; MS2; 110 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- Saccharin; LC-ESI-QTOF; MS2; 120 V
-
1,10-phenanthroline Molecule
InChIKey DGEZNRSVGBDHLK-UHFFFAOYSA-N Molecular Formula C12H8N2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- correlation spectroscopy (COSY)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 40; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- heteronuclear single quantum coherence (HSQC)
- o-Phenanthroline; GC-EI-TOF; MS; BP:180
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 20; [M+H]+
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 10; [M+H]+
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
-
1,10-phenanthroline-2,9-dicarbaldehyde Molecule
InChIKey RHXOPVFYZBGQGA-UHFFFAOYSA-N Molecular Formula C14H8N2O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1,10-phenanthroline-5,6-dione Molecule
InChIKey KCALAFIVPCAXJI-UHFFFAOYSA-N Molecular Formula C12H6N2O2
Related Dataset(s)
-
1,10-phenanthroline;ruthenium(2+);dichloride Molecule
InChIKey UWXWBVKIJZGXQL-UHFFFAOYSA-L Molecular Formula C36H24Cl2N6Ru
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1,2,4-trihydroxyanthracene-9,10-dione Molecule
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N Molecular Formula C14H8O5
Related Dataset(s)
- Purpurin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- Purpurin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Purpurin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- heteronuclear multiple bond coherence (HMBC)
- Purpurin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Purpurin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
-
1,3,3-trimethyl-2-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptan-2-ol Molecule
InChIKey CENJQGOZXURFGD-UHFFFAOYSA-N Molecular Formula C13H19NOS
Related Dataset(s)
- 1047626-52-7[cosy.dx]
- 1047626-52-7[dept135.fid.dx]
- 1047626-52-7[1d-noe-1-065.dx]
- 1047626-52-7[13c.fid.dx]
- 1047626-52-7[1d-noe-1-065.fid.dx]
- 1047626-52-7[cosy.ser.dx]
- 1047626-52-7[1h.fid.dx]
- 1047626-52-7[1h.dx]
- 1047626-52-7[hmbc.ser.dx]
- 1047626-52-7[1d-noe-0-97.fid.dx]
- 1047626-52-7[hmqc.ser.dx]
- 1047626-52-7[hmbc.dx]
- 1047626-52-7[1d-noe-0-73.fid.dx]
- 1047626-52-7[13c.dx]
- 1047626-52-7[1d-noe-0-97.dx]
- 1047626-52-7[hmqc.dx]
- 1047626-52-7[1d-noe-0-73.dx]
- 1047626-52-7[dept135.dx]
-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane Molecule
InChIKey WEEGYLXZBRQIMU-UHFFFAOYSA-N Molecular Formula C10H18O
Related Dataset(s)
- Eucalyptol.hsqc
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- Eucalyptol[6]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .
- Eucalyptol.aptjmod
- Eucalyptol.1d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Eucalyptol.cosy
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol.noesy
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol.hmbc
-
1,3,7-trimethylpurine-2,6-dione Molecule
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N Molecular Formula C8H10N4O2
Related Dataset(s)
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Caffeine; GC-EI-TOF; MS; n TMS; RT:724.344 sec
- Caffeine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Caffeine; LC-ESI-QTOF; MS2; 10 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Caffeine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 70 V
- Caffeine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-Q; MS; POS; 90 V
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[13]
- Classics_Caffeine[1]
- Caffeine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Caffeine; GC-EI-TOF; MS; BP:194
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 120 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 100 V
- Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL.hmbc
- Caffeine; LC-ESI-QTOF; MS2; 50 V
- Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 150 V
- Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- caffeine.c13
- Classics_Caffeine[2]
- Caffeine; LC-ESI-QTOF; MS2; 130 V
- Caffeine; LC-ESI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Caffeine; LC-ESI-QTOF; MS2; 20 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QTOF; MS2; 140 V
- Caffeine; LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024_500[1]
- Caffeine; LC-ESI-QTOF; MS2; 60 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
- Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Classics_Caffeine.hmqc
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- 1,3,7-TRIMETHYLXANTHINE; EI-B; MS
- Caffeine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Caffeine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Caffeine; LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 90 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 110 V
- Caffeine; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Classics_Caffeine.hmbc
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; CI-B; MS
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- caffeine.hsqc
- caffeine.proton
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[9]
- Classics_Caffeine.noesy
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Caffeine; LC-ESI-QTOF; MS2; 30 V
- Caffeine; LC-ESI-Q; MS; POS; 75 V
- Caffeine; LC-ESI-QTOF; MS2; 80 V
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- Caffeine; LC-APCI-QTOF; MS; POSITIVE
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL.noesy
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Classics_Caffeine[4]
- Caffeine; LC-ESI-Q; MS; POS; 60 V
- caffeine.noesy
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- CAFFEINE; CI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- caffeine.hmbc
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 45 V
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[11]
-
1,3-bis(bromomethyl)-5-methylbenzene Molecule
InChIKey AKDWRXXKHRUFMS-UHFFFAOYSA-N Molecular Formula C9H10Br2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1,3-di(propan-2-yl)benzimidazol-3-ium;bromide Molecule
InChIKey GEADTXMTKSHUOE-UHFFFAOYSA-M Molecular Formula C13H19BrN2
Related Dataset(s)
- electrospray ionisation mass spectrometry (ESMS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1,3-dibenzylurea Molecule
InChIKey KATOLVAXCGIBLO-UHFFFAOYSA-N Molecular Formula C15H16N2O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
-
1,3-dibromopropane Molecule
InChIKey VEFLKXRACNJHOV-UHFFFAOYSA-N Molecular Formula C3H6Br2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
-
1,3-dimethyl-2-phenyl-2H-benzimidazole Molecule
InChIKey VDFIVJSRRJXMAU-UHFFFAOYSA-N Molecular Formula C15H16N2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
1,3-dimethyl-2-phenylbenzimidazol-3-ium;iodide Molecule
InChIKey SCLUKDJXJDLDKB-UHFFFAOYSA-M Molecular Formula C15H15IN2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
1,4-dihydroxyanthracene-9,10-dione Molecule
InChIKey GUEIZVNYDFNHJU-UHFFFAOYSA-N Molecular Formula C14H8O4
Related Dataset(s)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 30 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 60 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 20 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 70 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 20; [M-H]-
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 50 V
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 10; [M-H]-
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 80 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 10 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- distortionless enhancement with polarization transfer (DEPT)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- correlation spectroscopy (COSY)
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 40; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
-
1,5,8-trimethylazuleno[6,5-b]furan Molecule
InChIKey LMVGRKPOXLBIFQ-UHFFFAOYSA-N Molecular Formula C15H14O
Related Dataset(s)
- NMR_Bruker-FID[13]
- gas chromatography-mass spectrometry (GCMS)
- NMR_Bruker-FID[17]
- Fourier transform infrared spectroscopy (FTIR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Bruker-FID[12]
- NMR_Bruker-FID[15]
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
- NMR_Bruker-FID[14]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Bruker-FID[11]
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- NMR_Bruker-FID[16]
-
1,8-dibromo-3,6-dimethyl-9H-carbazole Molecule
InChIKey CZVJRHMKDPDECE-UHFFFAOYSA-N Molecular Formula C14H11Br2N
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
1,8-dibromo-3,6-ditert-butyl-9H-carbazole Molecule
InChIKey NTUCWBPMVKOIDS-UHFFFAOYSA-N Molecular Formula C20H23Br2N
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- mass spectrometry (MS)
-
1-(1-benzyl-5-methylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole Molecule
InChIKey HKYHACNKJZVDCN-UHFFFAOYSA-N Molecular Formula C20H19N5O
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
