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Ethyl 3-(4-methoxyphenyl)-4-phenyl-3H-benzo[d]azepine-1-carboxylate
SpectraBase Compound ID 6jcOVxxjsHf
InChI InChI=1S/C26H23NO3/c1-3-30-26(28)24-18-27(21-13-15-22(29-2)16-14-21)25(19-9-5-4-6-10-19)17-20-11-7-8-12-23(20)24/h4-18H,3H2,1-2H3
InChIKey LSOFTDQSBQPRFY-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C26H23NO3
Exact Mass 397.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaEKPqbTF2N
Name Ethyl 3-(4-methoxyphenyl)-4-phenyl-3H-benzo[d]azepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO3
InChI InChI=1S/C26H23NO3/c1-3-30-26(28)24-18-27(21-13-15-22(29-2)16-14-21)25(19-9-5-4-6-10-19)17-20-11-7-8-12-23(20)24/h4-18H,3H2,1-2H3
InChIKey LSOFTDQSBQPRFY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02159
Molecular Weight 397.474 g/mol
SMILES c1cc2c(cc1)C(=CN(C(=C2)c1ccccc1)c1ccc(cc1)OC)C(OCC)=O
SPLASH splash10-0wmi-0292000000-15cfbe8ef823440ea1a8
Source of Spectrum A1-17-4332/SM4-4e
Wiley ID 1802270