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(3R,3.alpha.)-1-(1S,2S)-[[1-(Hydroxy)methyl)cyclohex-4-en-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3R,3.alpha.)-1-(1S,2S)-[[1-(Hydroxy)methyl)cyclohex-4-en-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID Ij5Vf2fVDwo
InChI InChI=1S/C19H24N2O/c22-12-14-6-2-1-5-13(14)11-18-19-16(9-10-20-18)15-7-3-4-8-17(15)21-19/h1-4,7-8,13-14,18,20-22H,5-6,9-12H2/t13-,14+,18-/m0/s1
InChIKey CTDQTCXEGDYAPH-IYOUNJFTSA-N
Mol Weight 296.41 g/mol
Molecular Formula C19H24N2O
Exact Mass 296.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1vCpyqoc2J
Name (3R,3.alpha.)-1-(1S,2S)-[[1-(hydroxy)methyl)cyclohex-4-en-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.188863400 u
Formula C19H24N2O
InChI InChI=1S/C19H24N2O/c22-12-14-6-2-1-5-13(14)11-18-19-16(9-10-20-18)15-7-3-4-8-17(15)21-19/h1-4,7-8,13-14,18,20-22H,5-6,9-12H2/t13-,14+,18-/m0/s1
InChIKey CTDQTCXEGDYAPH-IYOUNJFTSA-N
SMILES C1=2NC=3C=CC=CC3C2CCN[C@]1(C[C@]1([C@](CC=CC1)(CO)[H])[H])[H]