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(6-cyclopentyl-4H-pyrazolo[3,4-d]triazin-3-yl)-phenylmethanone Molecule
InChIKey JUJUWEBLNYJZJO-UHFFFAOYSA-N Molecular Formula C16H17N5O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
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(E)-8-bromo-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine Molecule
InChIKey FWRPHJBHZLJZOM-SDNWHVSQSA-N Molecular Formula C12H14BrNO2
Related Dataset(s)
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(Z)-3-difluoroboranyloxy-3-(4-ethoxy-2-phenyl-1,3-thiazol-5-yl)-1-phenylprop-... Molecule
InChIKey WGJYBQWDBMLOLO-LGMDPLHJSA-N Molecular Formula C20H16BF2NO3S
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- fluorescence spectroscopy (fluorimetry)
- ultraviolet-visible spectrophotometry (UV-VIS)
- high-performance liquid chromatography-mass spectrometry (HPLC-MS)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
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(Z)-4-[12-[[(Z)-3-carboxyprop-2-enoyl]amino]dodecylamino]-4-oxobut-2-enoic acid Molecule
InChIKey UIPWBIZIYFFHOR-XSYHWHKQSA-N Molecular Formula C20H32N2O6
Related Dataset(s)
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(Z)-4-[4-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid Molecule
InChIKey OUMVYHHZWFPSFH-SFECMWDFSA-N Molecular Formula C14H12N2O6
Related Dataset(s)
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(Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid Molecule
InChIKey WPUBWLUSKQXZNQ-SFECMWDFSA-N Molecular Formula C14H20N2O6
Related Dataset(s)
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(Z)-4-[[3-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4... Molecule
InChIKey BIVYBXKQJWPFNV-PEPZGXQESA-N Molecular Formula C16H22N2O6
Related Dataset(s)
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(Z)-4-[[3-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]phenyl]methylamino]-4-oxo... Molecule
InChIKey OOFBGHCVZDGOMM-PEPZGXQESA-N Molecular Formula C16H16N2O6
Related Dataset(s)
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(Z)-4-[[5-[[(Z)-3-carboxyprop-2-enoyl]amino]-1,3,3-trimethylcyclohexyl]methyl... Molecule
InChIKey OSMXVZQQWFMTPK-PEPZGXQESA-N Molecular Formula C18H26N2O6
Related Dataset(s)
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(Z)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine Molecule
InChIKey VUWWOMAFWYFFIK-SEYXRHQNSA-N Molecular Formula C12H15NO2
Related Dataset(s)
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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
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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]+
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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)
-
1,2,3,4-tetrabromo-5,5-dimethoxycyclopenta-1,3-diene Molecule
InChIKey KYLWWILISUILBZ-UHFFFAOYSA-N Molecular Formula C7H6Br4O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
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]+
-
1,2-dibromo-4,5-dimethoxybenzene Molecule
InChIKey ZYCLQXMMFJREPJ-UHFFFAOYSA-N Molecular Formula C8H8Br2O2
Related Dataset(s)
-
1,3,5-tris(dimethoxyphosphoryl)benzene Molecule
InChIKey SZWWJNWOTTYFSA-UHFFFAOYSA-N Molecular Formula C12H21O9P3
Related Dataset(s)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
