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Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,4,5,6-hexahydro-3-[1-(1-naphthalenyl)ethyl]-, methyl ester, [S-(R*,S*)]-
SpectraBase Compound ID FuNgwSpEqBF
InChI InChI=1S/C26H26N2O2/c1-17(19-12-7-9-18-8-3-4-10-20(18)19)28-15-14-22-21-11-5-6-13-24(21)27-25(22)23(16-28)26(29)30-2/h3-13,17,23,27H,14-16H2,1-2H3/t17-,23+/m0/s1
InChIKey BQPZJUGWJPXAIM-GAJHUEQPSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtV7eBTxwzw
Name Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,4,5,6-hexahydro-3-[1-(1-naphthalenyl)ethyl]-, methyl ester, [S-(R*,S*)]-
CAS Registry Number 131703-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2
InChI InChI=1S/C26H26N2O2/c1-17(19-12-7-9-18-8-3-4-10-20(18)19)28-15-14-22-21-11-5-6-13-24(21)27-25(22)23(16-28)26(29)30-2/h3-13,17,23,27H,14-16H2,1-2H3/t17-,23+/m0/s1
InChIKey BQPZJUGWJPXAIM-GAJHUEQPSA-N
Molecular Weight 398.506 g/mol
SMILES [nH]1c2ccccc2c2CCN(C[C@](c12)(C(=O)OC)[H])[C@](c1c2c(cccc2)ccc1)(C)[H]
SPLASH splash10-0zfu-0931000000-d6d4f0d1721f3bedc0ad
Source of Spectrum J-56-527-42
Synonyms Methyl (5R)-3-[(1S)-1-(1-naphthyl)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate Methyl 3-[(S)-1-(1-naphthyl)ethyl]-1,2,3,4,5.XI.,6-hexahydroazepino[4,5-b]indole-5-carboxylate
Wiley ID 1368645