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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-

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

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-
SpectraBase Compound ID Imwo8bg8lta
InChI InChI=1S/C24H28N2O3S/c1-24(2,30-16-8-6-5-7-9-16)14-21-22-18(13-20(25-21)23(27)29-4)17-11-10-15(28-3)12-19(17)26-22/h5-12,20-21,25-26H,13-14H2,1-4H3/t20-,21-/m0/s1
InChIKey UVZCYXNHYQLLIC-SFTDATJTSA-N
Mol Weight 424.56 g/mol
Molecular Formula C24H28N2O3S
Exact Mass 424.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3AXzSpdP41
Name 1H-Pyrido[3,4-B]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-7-methoxy-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.182063941 u
Formula C24H28N2O3S
InChI InChI=1S/C24H28N2O3S/c1-24(2,30-16-8-6-5-7-9-16)14-21-22-18(13-20(25-21)23(27)29-4)17-11-10-15(28-3)12-19(17)26-22/h5-12,20-21,25-26H,13-14H2,1-4H3/t20-,21-/m0/s1
InChIKey UVZCYXNHYQLLIC-SFTDATJTSA-N
Molecular Weight 424.559 g/mol
SMILES C12=C(C=3C=CC(=CC3N2)OC)C[C@](N[C@]1(CC(SC1=CC=CC=C1)(C)C)[H])(C(=O)OC)[H]