-
(1-benzyl-2-phenylindol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanone Molecule
InChIKey JSFGZCLKZHTGQA-UHFFFAOYSA-N Molecular Formula C28H16F5NO
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- diffraction method (crystallography)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
(2-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey BQSKGNHSFVZDGZ-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex... Molecule
InChIKey DDUHZTYCFQRHIY-RBHXEPJQSA-N Molecular Formula C17H17ClO6
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
-
(3-acetyloxy-5-methylphenyl) acetate Molecule
InChIKey KDOYCAADBINREP-UHFFFAOYSA-N Molecular Formula C11H12O4
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
(3-hydroxy-5-methylphenyl) acetate Molecule
InChIKey WNNFOAQKFKIJQP-UHFFFAOYSA-N Molecular Formula C9H10O3
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(4-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey FKSHOQTWUWCWTG-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
(4-chlorophenyl)methanamine Molecule
InChIKey YMVFJGSXZNNUDW-UHFFFAOYSA-N Molecular Formula C7H8ClN
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(4-tert-butylpyridin-2-yl)-diphenylphosphane Molecule
InChIKey SQVJCQZWFOKFFX-UHFFFAOYSA-N Molecular Formula C21H22NP
Related Dataset(s)
- mass spectrometry (MS)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(5-bromopyridin-2-yl)methanamine Molecule
InChIKey AUIXMWKVLPXKGC-UHFFFAOYSA-N Molecular Formula C6H7BrN2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane Molecule
InChIKey CXNIUSPIQKWYAI-UHFFFAOYSA-N Molecular Formula C39H32OP2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(5-methylpyridin-2-yl)methanamine Molecule
InChIKey NXTVBKWLOZSCQE-UHFFFAOYSA-N Molecular Formula C7H10N2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- Pulegone.aptjmod
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.hsqc
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Pulegone.proton
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID[3]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- NMR_Pulegone_Bruker-FID.1d
- electron ionisation mass spectrometry (EI-MS)
- Pulegone.cosy
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Pulegone_Bruker-FID.hsqc
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.aptjmod
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pulegone.noesy
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine.cosy
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine.aptjmod
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine.proton
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.hmbc
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine.noesy
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
1,1-dioxo-1,2-benzothiazol-3-one Molecule
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-N Molecular Formula C7H5NO3S
Related Dataset(s)
- Saccharin; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
- SACCHARIN; EI-B; MS
- Saccharin; LC-ESI-QTOF; MS2; 110 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 70 V
- Saccharin; LC-ESI-QTOF; MS2; 150 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- Saccharin; LC-ESI-QTOF; MS2; 80 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 20 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
- correlation spectroscopy (COSY)
- Saccharin; LC-ESI-QTOF; MS2; 60 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
- heteronuclear single quantum coherence (HSQC)
- Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-QTOF; MS2; 90 V
- Saccharin; LC-ESI-QTOF; MS2; 30 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 120 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 10 V
- Saccharin; LC-ESI-QTOF; MS2; 140 V
- Saccharin; LC-ESI-QTOF; MS2; 100 V
- Saccharin; LC-ESI-QTOF; MS2; 130 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Saccharin; LC-ESI-QTOF; MS2; 50 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
-
1,10-phenanthroline Molecule
InChIKey DGEZNRSVGBDHLK-UHFFFAOYSA-N Molecular Formula C12H8N2
Related Dataset(s)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- heteronuclear single quantum coherence (HSQC)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- correlation spectroscopy (COSY)
- o-Phenanthroline; GC-EI-TOF; MS; BP:180
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 10; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 40; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- heteronuclear multiple bond coherence (HMBC)
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 20; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
-
1,10-phenanthroline-2,9-dicarbaldehyde Molecule
InChIKey RHXOPVFYZBGQGA-UHFFFAOYSA-N Molecular Formula C14H8N2O2
Related Dataset(s)
- 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)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
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)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
1,2,4-trihydroxyanthracene-9,10-dione Molecule
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N Molecular Formula C14H8O5
Related Dataset(s)
- Purpurin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Purpurin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Purpurin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Purpurin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Purpurin; LC-ESI-QQQ; MS; [M+H]+
- correlation spectroscopy (COSY)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
-
1,3-bis(bromomethyl)-5-methylbenzene Molecule
InChIKey AKDWRXXKHRUFMS-UHFFFAOYSA-N Molecular Formula C9H10Br2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
