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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)
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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)
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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)
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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)
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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)
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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)
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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]
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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)
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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)
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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)
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1-(1-benzyl-5-methylpyrazol-3-yl)-4-butyltriazole Molecule
InChIKey PKNOMBYYAWYDCG-UHFFFAOYSA-N Molecular Formula C17H21N5
Related Dataset(s)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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1-(1-benzylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole Molecule
InChIKey JMPSOWDQCFVJPL-UHFFFAOYSA-N Molecular Formula C19H17N5O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
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1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole Molecule
InChIKey SYHGOJNCDVCRGL-UHFFFAOYSA-N Molecular Formula C17H19N5O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
1-(2,6-dihydroxyphenyl)ethanone Molecule
InChIKey YPTJKHVBDCRKNF-UHFFFAOYSA-N Molecular Formula C8H8O3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 2',6'-DIHYDROXYACETOPHENONE; EI-B; MS
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
-
1-(3,4-dichlorophenyl)ethanone Molecule
InChIKey WBPAOUHWPONFEQ-UHFFFAOYSA-N Molecular Formula C8H6Cl2O
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 3',4'-DICHLOROACETOPHENONE; EI-B; MS
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1-(3,5-dibromo-2,6-dihydroxyphenyl)ethanone Molecule
InChIKey GHPWLLSLLWHDPT-UHFFFAOYSA-N Molecular Formula C8H6Br2O3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1-(3-bromo-2,6-dihydroxyphenyl)ethanone Molecule
InChIKey MZSDKOBKEFEBJF-UHFFFAOYSA-N Molecular Formula C8H7BrO3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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1-(3-bromophenyl)ethanone Molecule
InChIKey JYAQYXOVOHJRCS-UHFFFAOYSA-N Molecular Formula C8H7BrO
Related Dataset(s)
- 3-BROMOPHENYL METHYL KETONE; EI-B; MS
- M-BROMOACETOPHENONE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- M-BROMOACETOPHENONE; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 3'-BROMOACETOPHENONE; EI-B; MS
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1-(4-fluoro-2-hydroxyphenyl)ethanone Molecule
InChIKey HLTBTUXAMVOKIH-UHFFFAOYSA-N Molecular Formula C8H7FO2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1-(4-fluoro-3-hydroxyphenyl)ethanone Molecule
InChIKey WZADRGNQKQFMHI-UHFFFAOYSA-N Molecular Formula C8H7FO2
Related Dataset(s)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 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)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
