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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-butoxy-2,3,4,9-tetrahydro-1-phenyl-, ethyl ester, cis-
SpectraBase Compound ID JVgbO5WdUb2
InChI InChI=1S/C24H28N2O3/c1-3-5-15-29-26-21(24(27)28-4-2)16-19-18-13-9-10-14-20(18)25-22(19)23(26)17-11-7-6-8-12-17/h6-14,21,23,25H,3-5,15-16H2,1-2H3/t21-,23-/m0/s1
InChIKey LIGPEGZLZBNKMK-GMAHTHKFSA-N
Mol Weight 392.5 g/mol
Molecular Formula C24H28N2O3
Exact Mass 392.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiSKcczeMEF
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-butoxy-2,3,4,9-tetrahydro-1-phenyl-, ethyl ester, cis-
Alternate Name(s) cis-1-phenyl-2-n-butoxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline Ethyl (1S,3S)-2-butoxy-1-phenyl-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate
CAS Registry Number 129169-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O3
InChI InChI=1S/C24H28N2O3/c1-3-5-15-29-26-21(24(27)28-4-2)16-19-18-13-9-10-14-20(18)25-22(19)23(26)17-11-7-6-8-12-17/h6-14,21,23,25H,3-5,15-16H2,1-2H3/t21-,23-/m0/s1
InChIKey LIGPEGZLZBNKMK-GMAHTHKFSA-N
Molecular Weight 392.499 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@@](C2)(C(=O)OCC)[H])OCCCC)(c1ccccc1)[H]
SPLASH splash10-014i-0092000000-932da095a9239b765d02
Source of Spectrum F-46-845-6
Wiley ID 1365963