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(1R,3S)-Methyl 1-(3-benzoyloxy-4-methoxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID J64HfojYtFO
InChI InChI=1S/C27H24N2O5/c1-32-22-13-12-17(14-23(22)34-26(30)16-8-4-3-5-9-16)24-25-19(15-21(29-24)27(31)33-2)18-10-6-7-11-20(18)28-25/h3-14,21,24,28-29H,15H2,1-2H3/t21-,24+/m0/s1
InChIKey BCRQYKNNSWCBDJ-XUZZJYLKSA-N
Mol Weight 456.5 g/mol
Molecular Formula C27H24N2O5
Exact Mass 456.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0IzoTaWHCq
Name (1R,3S)-Methyl 1-(3-benzoyloxy-4-methoxyphenyl)-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 C27H24N2O5
InChI InChI=1S/C27H24N2O5/c1-32-22-13-12-17(14-23(22)34-26(30)16-8-4-3-5-9-16)24-25-19(15-21(29-24)27(31)33-2)18-10-6-7-11-20(18)28-25/h3-14,21,24,28-29H,15H2,1-2H3/t21-,24+/m0/s1
InChIKey BCRQYKNNSWCBDJ-XUZZJYLKSA-N
Molecular Weight 456.498 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](N[C@@](C2)(C(=O)OC)[H])(c1cc(OC(=O)c2ccccc2)c(cc1)OC)[H]
SPLASH splash10-0a4i-0312900000-0a76bb817c12e1f485e8
Source of Spectrum QC-22-1869-2c
Wiley ID 1691490