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dimethyl (2R,3R)-2,3-dihydroxybutanedioate Molecule
InChIKey PVRATXCXJDHJJN-QWWZWVQMSA-N Molecular Formula C6H10O6
Related Dataset(s)
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dimethyl 5-aminobenzene-1,3-dicarboxylate Molecule
InChIKey DEKPYXUDJRABNK-UHFFFAOYSA-N Molecular Formula C10H11NO4
Related Dataset(s)
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dimethyl benzene-1,3-dicarboxylate Molecule
InChIKey VNGOYPQMJFJDLV-UHFFFAOYSA-N Molecular Formula C10H10O4
Related Dataset(s)
- DIMETHYL ISOPHTHALATE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- DIMETHYL ISOPHTHALATE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- DIMETHYL ISOPHTHALATE; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1,3-DIMETHYL PHTHALAE; EI-B; MS
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dimethyl benzene-1,4-dicarboxylate Molecule
InChIKey WOZVHXUHUFLZGK-UHFFFAOYSA-N Molecular Formula C10H10O4
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1,4-DIMETHYL PHTHALATE; EI-B; MS
- DIMETHYL TEREPHTHALATE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- Dimethyl terephthalate; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
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dimethyl butanedioate Molecule
InChIKey MUXOBHXGJLMRAB-UHFFFAOYSA-N Molecular Formula C6H10O4
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- BUTANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- DIMETHYL SUCCINATE; EI-B; MS
- 1H--1H correlation spectroscopy (1H-1H COSY)
- DIMETHYL SUCCINATE; EI-B; MS
- DIMETHYL SUCCINATE; EI-B; MS
- DIMETHYL SUCCINATE; EI-B; MS
- DIMETHYL SUCCINATE; CI-B; MS
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ethyl (2E)-2-cyano-2-hydroxyiminoacetate Molecule
InChIKey LCFXLZAXGXOXAP-QPJJXVBHSA-N Molecular Formula C5H6N2O3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
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ethyl 1-benzyl-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carboxylate Molecule
InChIKey UBBFWZTUXPGXCP-QURGRASLSA-N Molecular Formula C19H27N5O2
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
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ethyl 2-methylbenzoate Molecule
InChIKey SOUAXOGPALPTTC-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ETHYL ORTHO TOLUATE; EI-B; MS
- ETHYL O-TOLUATE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
ethyl 4-oxopentanoate Molecule
InChIKey GMEONFUTDYJSNV-UHFFFAOYSA-N Molecular Formula C7H12O3
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- ETHYL 4-OXOPENTANOATE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ETHYL LEVULINATE; EI-B; MS
- ETHYL LEVULINATE; EI-B; MS
-
ethyl 6-(cyclopropylmethoxy)-1H-indole-2-carboxylate Molecule
InChIKey XSKANNIFUURLJU-UHFFFAOYSA-N Molecular Formula C15H17NO3
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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furan-2-carbaldehyde Molecule
InChIKey HYBBIBNJHNGZAN-UHFFFAOYSA-N Molecular Formula C5H4O2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- FURFURAL; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- FURFURAL; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- FURFURAL; CI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- FURFURAL; EI-B; MS
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furan-3-carbaldehyde Molecule
InChIKey AZVSIHIBYRHSLB-UHFFFAOYSA-N Molecular Formula C5H4O2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
hept-1-ene Molecule
InChIKey ZGEGCLOFRBLKSE-UHFFFAOYSA-N Molecular Formula C7H14
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1-HEPTENE; CI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
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hexane-1,6-diol Molecule
InChIKey XXMIOPMDWAUFGU-UHFFFAOYSA-N Molecular Formula C6H14O2
Related Dataset(s)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1,6-HEXANEDIOL; EI-B; MS
- 1,6-HEXANEDIOL; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
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isoquinolin-5-ol Molecule
InChIKey CSNXUYRHPXGSJD-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
isoquinolin-8-amine Molecule
InChIKey GUSYANXQYUJOBH-UHFFFAOYSA-N Molecular Formula C9H8N2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
isoquinolin-8-ol Molecule
InChIKey ZIXWTPREILQLAC-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride Molecule
InChIKey NDBQJIBNNUJNHA-DFWYDOINSA-N Molecular Formula C4H10ClNO3
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Molecule
InChIKey CINAUOAOVQPWIB-JTQLQIEISA-N Molecular Formula C12H15NO5
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Molecule
InChIKey SANNKFASHWONFD-LURJTMIESA-N Molecular Formula C9H17NO5
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
