(1R,3S)-Methyl 1-(3,4-dibenzoyloxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate

SpectraBase Compound ID	DAP5LTEpjzq
InChI	InChI=1S/C33H26N2O6/c1-39-33(38)26-19-24-23-14-8-9-15-25(23)34-30(24)29(35-26)22-16-17-27(40-31(36)20-10-4-2-5-11-20)28(18-22)41-32(37)21-12-6-3-7-13-21/h2-18,26,29,34-35H,19H2,1H3/t26-,29+/m0/s1
InChIKey	RQTLHCHHXMJKKI-LITSAYRRSA-N Google Search
Mol Weight	546.6 g/mol
Molecular Formula	C33H26N2O6
Exact Mass	546.179087 g/mol

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SpectraBase Spectrum ID	8kddVk7CHS0
Name	(1R,3S)-Methyl 1-(3,4-dibenzoyloxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-B]indole-3-carboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	546.179086559 u
Formula	C33H26N2O6
InChI	InChI=1S/C33H26N2O6/c1-39-33(38)26-19-24-23-14-8-9-15-25(23)34-30(24)29(35-26)22-16-17-27(40-31(36)20-10-4-2-5-11-20)28(18-22)41-32(37)21-12-6-3-7-13-21/h2-18,26,29,34-35H,19H2,1H3/t26-,29+/m0/s1
InChIKey	RQTLHCHHXMJKKI-LITSAYRRSA-N
Molecular Weight	546.579 g/mol
SMILES	C12=C(C=3C=CC=CC3N2)C[C@](N[C@@]1(C=1C=C(OC(=O)C=2C=CC=CC2)C(OC(=O)C2=CC=CC=C2)=CC1)[H])(C(=O)OC)[H]