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2-Benzyl-N-(tert-butyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-2-benzazepin- 1-one-3-carboxamide
SpectraBase Compound ID 9sbQXE2uZBu
InChI InChI=1S/C28H27N3O4/c1-28(2,3)29-26(32)25-24(20-13-15-22(16-14-20)31(34)35)17-21-11-7-8-12-23(21)27(33)30(25)18-19-9-5-4-6-10-19/h4-17,25H,18H2,1-3H3,(H,29,32)
InChIKey HCPKJGOKYFZSPR-UHFFFAOYSA-N
Mol Weight 469.54 g/mol
Molecular Formula C28H27N3O4
Exact Mass 469.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bHP2LUbqMw
Name 2-Benzyl-N-(tert-butyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-2-benzazepin- 1-one-3-carboxamide
Alternate Name(s) 2-Benzyl-N-(tert-butyl)-4-(4-nitrophenyl)-1-oxo-2,3-dihydro-1H-benzo[c]azepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O4
InChI InChI=1S/C28H27N3O4/c1-28(2,3)29-26(32)25-24(20-13-15-22(16-14-20)31(34)35)17-21-11-7-8-12-23(21)27(33)30(25)18-19-9-5-4-6-10-19/h4-17,25H,18H2,1-3H3,(H,29,32)
InChIKey HCPKJGOKYFZSPR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo502275f
Molecular Weight 469.541 g/mol
SMILES N(C(C1N(C(=O)c2ccccc2C=C1c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)=O)C(C)(C)C
SPLASH splash10-002f-9043000000-e555fd6a7267f17b8421
Source of Spectrum J-80-644-8k
Wiley ID 1755824