-
hept-1-ene Molecule
InChIKey ZGEGCLOFRBLKSE-UHFFFAOYSA-N Molecular Formula C7H14
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1-HEPTENE; CI-B; MS
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
hexane-1,6-diol Molecule
InChIKey XXMIOPMDWAUFGU-UHFFFAOYSA-N Molecular Formula C6H14O2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1,6-HEXANEDIOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1,6-HEXANEDIOL; EI-B; MS
-
isoquinolin-5-ol Molecule
InChIKey CSNXUYRHPXGSJD-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
isoquinolin-8-amine Molecule
InChIKey GUSYANXQYUJOBH-UHFFFAOYSA-N Molecular Formula C9H8N2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
isoquinolin-8-ol Molecule
InChIKey ZIXWTPREILQLAC-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride Molecule
InChIKey NDBQJIBNNUJNHA-DFWYDOINSA-N Molecular Formula C4H10ClNO3
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H 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)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 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)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- correlation spectroscopy (COSY)
-
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)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl 1H-indole-3-carboxylate Molecule
InChIKey QXAUTQFAWKKNLM-UHFFFAOYSA-N Molecular Formula C10H9NO2
Related Dataset(s)
- nuclear magnetic resonance spectroscopy (NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
methyl 2,2-dimethylchromene-6-carboxylate Molecule
InChIKey BVQOOKUOYKXECX-UHFFFAOYSA-N Molecular Formula C13H14O3
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electron ionisation mass spectrometry (EI-MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl 2-(1,3-dithiolan-2-ylidene)-2-(3-oxocyclohexyl)acetate Molecule
InChIKey ZNUPABCJWDFYLZ-UHFFFAOYSA-N Molecular Formula C12H16O3S2
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- electron ionisation mass spectrometry (EI-MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
methyl 2-(chloromethyl)benzoate Molecule
InChIKey AAHZCIWUDPKSJP-UHFFFAOYSA-N Molecular Formula C9H9ClO2
Related Dataset(s)
- 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)
- 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)
-
methyl 3-bromopropanoate Molecule
InChIKey KQEVIFKPZOGBMZ-UHFFFAOYSA-N Molecular Formula C4H7BrO2
Related Dataset(s)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
methyl 6-bromo-1-[(4-methoxyphenyl)methyl]indole-4-carboxylate Molecule
InChIKey NSLHWLLKHINCSE-UHFFFAOYSA-N Molecular Formula C18H16BrNO3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
methyl prop-2-ynoate Molecule
InChIKey IMAKHNTVDGLIRY-UHFFFAOYSA-N Molecular Formula C4H4O2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
nfdi4chem-mol1024 (Unknown Molecule) Molecule
InChIKey SMDRKVWNQXOQTQ-SHHOIMCASA-N Molecular Formula C22H32N6O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- fast-atom bombardment mass spectrometry (FABMS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol1357 (Unknown Molecule) Molecule
InChIKey LCYWCZWKUOWKCQ-OQLLNIDSSA-N Molecular Formula C13H10N2O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
nfdi4chem-mol1599 (Unknown Molecule) Molecule
InChIKey LRHQVSJDOPYCOR-UHFFFAOYSA-M Molecular Formula C47H45ClN3PPd
Related Dataset(s)
- fast-atom bombardment mass spectrometry (FABMS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
-
nfdi4chem-mol1982 (Unknown Molecule) Molecule
InChIKey NHXSMEATCRWYPK-ROJLCIKYSA-N Molecular Formula C32H26N2O5
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- high-resolution mass spectrometry (HRMS)
- distortionless enhancement with polarization transfer (DEPT)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- thin-layer chromatography (TLC)
- atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
nfdi4chem-mol2194 (Unknown Molecule) Molecule
InChIKey BBXJSLXPCZXILR-CZIZESTLSA-N Molecular Formula C16H28N6O3
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- fast-atom bombardment mass spectrometry (FABMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
