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2-Benzyl-N-(tert-butyl)-4-(4-chlorophenyl)-2,3-dihydro-1H-2-benzazepin-1-one-3-carboxamide

View entire compound with spectra: 1 MS (GC)

2-Benzyl-N-(tert-butyl)-4-(4-chlorophenyl)-2,3-dihydro-1H-2-benzazepin-1-one-3-carboxamide
SpectraBase Compound ID QgnROAkv8s
InChI InChI=1S/C28H27ClN2O2/c1-28(2,3)30-26(32)25-24(20-13-15-22(29)16-14-20)17-21-11-7-8-12-23(21)27(33)31(25)18-19-9-5-4-6-10-19/h4-17,25H,18H2,1-3H3,(H,30,32)
InChIKey XRQURTNJYUVNIN-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C28H27ClN2O2
Exact Mass 458.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XuT1B15apI
Name 2-Benzyl-N-(tert-butyl)-4-(4-chlorophenyl)-2,3-dihydro-1H-2-benzazepin-1-one-3-carboxamide
Alternate Name(s) 2-Benzyl-N-(tert-butyl)-4-(4-chlorophenyl)-1-oxo-2,3-dihydro-1H-benzo[c]azepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27ClN2O2
InChI InChI=1S/C28H27ClN2O2/c1-28(2,3)30-26(32)25-24(20-13-15-22(29)16-14-20)17-21-11-7-8-12-23(21)27(33)31(25)18-19-9-5-4-6-10-19/h4-17,25H,18H2,1-3H3,(H,30,32)
InChIKey XRQURTNJYUVNIN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo502275f
Molecular Weight 458.989 g/mol
SMILES N(C(C)(C)C)C(=O)C1N(C(=O)c2ccccc2C=C1c1ccc(cc1)Cl)Cc1ccccc1
SPLASH splash10-052f-9024100000-19a1cbf8a2cf57c1f53a
Source of Spectrum J-80-643-8a
Wiley ID 1755818