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Ethyl 7-chloro-3,4-diphenyl-3H-benzo[d]azepine-1-carboxylate
SpectraBase Compound ID KLJNruNasQT
InChI InChI=1S/C25H20ClNO2/c1-2-29-25(28)23-17-27(21-11-7-4-8-12-21)24(18-9-5-3-6-10-18)16-19-15-20(26)13-14-22(19)23/h3-17H,2H2,1H3
InChIKey KDJMCHOBBUVRBY-UHFFFAOYSA-N
Mol Weight 401.89 g/mol
Molecular Formula C25H20ClNO2
Exact Mass 401.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OrKA8smOA7
Name Ethyl 7-chloro-3,4-diphenyl-3H-benzo[d]azepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClNO2
InChI InChI=1S/C25H20ClNO2/c1-2-29-25(28)23-17-27(21-11-7-4-8-12-21)24(18-9-5-3-6-10-18)16-19-15-20(26)13-14-22(19)23/h3-17H,2H2,1H3
InChIKey KDJMCHOBBUVRBY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02159
Molecular Weight 401.893 g/mol
SMILES c1(cc2c(cc1)C(=CN(C(=C2)c1ccccc1)c1ccccc1)C(OCC)=O)Cl
SPLASH splash10-0udi-0911000000-eb1c8b69d030deb70e98
Source of Spectrum A1-17-4332/SM9-4p
Wiley ID 1802281