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2-Chloroethyl 3,4-diphenyl-3H-benzo[d]azepine-1-carboxylate
SpectraBase Compound ID 3CzKHAetDPX
InChI InChI=1S/C25H20ClNO2/c26-15-16-29-25(28)23-18-27(21-12-5-2-6-13-21)24(19-9-3-1-4-10-19)17-20-11-7-8-14-22(20)23/h1-14,17-18H,15-16H2
InChIKey GAQLWHFVCCBPAK-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 A4f7SRAhKPE
Name 2-Chloroethyl 3,4-diphenyl-3H-benzo[d]azepine-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClNO2
InChI InChI=1S/C25H20ClNO2/c26-15-16-29-25(28)23-18-27(21-12-5-2-6-13-21)24(19-9-3-1-4-10-19)17-20-11-7-8-14-22(20)23/h1-14,17-18H,15-16H2
InChIKey GAQLWHFVCCBPAK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02159
Molecular Weight 401.893 g/mol
SMILES C=1N(C(=Cc2c(C1C(=O)OCCCl)cccc2)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-0190000000-ec66c8696cfc37e0c585
Source of Spectrum A1-17-4332/SM11-4v
Wiley ID 1802286