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(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
Mol Weight 546.6 g/mol
Molecular Formula C33H26N2O6
Exact Mass 546.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTNswmJHLic
Name (1R,3S)-Methyl 1-(3,4-dibenzoyloxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 [nH]1c2ccccc2c2c1[C@](N[C@@](C2)(C(=O)OC)[H])(c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)cc1)[H]
SPLASH splash10-0a4i-1900020000-330e4292332244a28681
Source of Spectrum QC-22-1869-2f
Wiley ID 1691486