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METHYL-3-BENZYL-1,2,3,4,5,6-HEXAHYDROAZEPINO-[4,5-B]-INDOLE-5-CARBOXYLATE
SpectraBase Compound ID 1kpVkvH63AJ
InChI InChI=1S/C21H22N2O2/c1-25-21(24)18-14-23(13-15-7-3-2-4-8-15)12-11-17-16-9-5-6-10-19(16)22-20(17)18/h2-10,18,22H,11-14H2,1H3
InChIKey BLROAGZNDOJDHY-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeUBnDuKfzv
Name 3-(Phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester
Alternate Name(s) 3-Benzyl-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester Methyl 3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Methyl 3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CAS Registry Number 66859-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-25-21(24)18-14-23(13-15-7-3-2-4-8-15)12-11-17-16-9-5-6-10-19(16)22-20(17)18/h2-10,18,22H,11-14H2,1H3
InChIKey BLROAGZNDOJDHY-UHFFFAOYSA-N
Molecular Weight 334.419 g/mol
SMILES [nH]1c2ccccc2c2c1C(CN(CC2)Cc1ccccc1)C(=O)OC
SPLASH splash10-0006-9432000000-744b151190da553f52df
Source of Spectrum J-58-1440-24
Wiley ID 1331242