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(3R,4S,5S)-3-phenyl-5-(phenylmethyl)-4-propyl-4,5-dihydro-3H-2-benzazepine
SpectraBase Compound ID 4q77a1nVoIX
InChI InChI=1S/C26H27N/c1-2-11-24-25(18-20-12-5-3-6-13-20)23-17-10-9-16-22(23)19-27-26(24)21-14-7-4-8-15-21/h3-10,12-17,19,24-26H,2,11,18H2,1H3/t24-,25+,26-/m0/s1
InChIKey PTAPFOFBIBFDRV-NXCFDTQHSA-N
Mol Weight 353.51 g/mol
Molecular Formula C26H27N
Exact Mass 353.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtsuXi1Ehmt
Name (3R,4S,5S)-3-phenyl-5-(phenylmethyl)-4-propyl-4,5-dihydro-3H-2-benzazepine
Alternate Name(s) (3R,4S,5S)-5-benzyl-3-phenyl-4-propyl-4,5-dihydro-3H-2-benzazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N
InChI InChI=1S/C26H27N/c1-2-11-24-25(18-20-12-5-3-6-13-20)23-17-10-9-16-22(23)19-27-26(24)21-14-7-4-8-15-21/h3-10,12-17,19,24-26H,2,11,18H2,1H3/t24-,25+,26-/m0/s1
InChIKey PTAPFOFBIBFDRV-NXCFDTQHSA-N
Molecular Weight 353.509 g/mol
SMILES [C@@]1(N=Cc2c([C@]([C@@]1(CCC)[H])(Cc1ccccc1)[H])cccc2)(c1ccccc1)[H]
SPLASH splash10-0fkc-5295000000-d60f406ce28d04a44d28
Source of Spectrum K1-2004-3475-6
Wiley ID 1561379