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Ethyl 4-butyl-3-phenyl-3H-benzo[d]azepine-1-carboxylate
SpectraBase Compound ID LYYYMV5hTFu
InChI InChI=1S/C23H25NO2/c1-3-5-12-20-16-18-11-9-10-15-21(18)22(23(25)26-4-2)17-24(20)19-13-7-6-8-14-19/h6-11,13-17H,3-5,12H2,1-2H3
InChIKey VKNDIYTYDJNFCA-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kKXeuiMh2w
Name Ethyl 4-butyl-3-phenyl-3H-benzo[d]azepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-3-5-12-20-16-18-11-9-10-15-21(18)22(23(25)26-4-2)17-24(20)19-13-7-6-8-14-19/h6-11,13-17H,3-5,12H2,1-2H3
InChIKey VKNDIYTYDJNFCA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02159
Molecular Weight 347.458 g/mol
SMILES c1cc2c(cc1)C(=CN(C(=C2)CCCC)c1ccccc1)C(OCC)=O
SPLASH splash10-014i-0394000000-0749d52bdb4cc0e6a6b2
Source of Spectrum A1-17-4332/SM9-4o
Wiley ID 1802280