For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,3S)-2-phenyl-3-tolyl-2,3-dihydroazepine-1-carboxylic acid ethyl ester
SpectraBase Compound ID BjoU0umKUyy
InChI InChI=1S/C22H23NO2/c1-3-25-22(24)23-16-8-7-11-20(18-14-12-17(2)13-15-18)21(23)19-9-5-4-6-10-19/h4-16,20-21H,3H2,1-2H3/t20-,21-/m0/s1
InChIKey GTFJZIJHXNEDPY-SFTDATJTSA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Gd1vByakPwe
Name (2R,3S)-2-phenyl-3-tolyl-2,3-dihydroazepine-1-carboxylic acid ethyl ester
Alternate Name(s) 1-Carrbethoxy-2-phenyl-3-tolyl-2,3-dihydroazepine Ethyl (2R,3S)-3-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-azepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-3-25-22(24)23-16-8-7-11-20(18-14-12-17(2)13-15-18)21(23)19-9-5-4-6-10-19/h4-16,20-21H,3H2,1-2H3/t20-,21-/m0/s1
InChIKey GTFJZIJHXNEDPY-SFTDATJTSA-N
Molecular Weight 333.431 g/mol
SMILES [C@@]1(N(C=CC=C[C@]1(c1ccc(cc1)C)[H])C(=O)OCC)(c1ccccc1)[H]
SPLASH splash10-014i-4793000000-8d70ab0d0a352fcfa44f
Source of Spectrum F-52-14809-17
Wiley ID 799806