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(4S)-5-Acetyl-7-methyl-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
SpectraBase Compound ID EA5qwPwSffD
InChI InChI=1S/C18H17N3O4/c1-11-3-8-15-17(9-11)20(12(2)22)16(10-18(23)19-15)13-4-6-14(7-5-13)21(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKey WDGFXBDDOSCIRU-INIZCTEOSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B28EyMJJjtY
Name (4S)-5-Acetyl-7-methyl-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
Alternate Name(s) (S)-5-acetyl-7-methyl-4-(4-nitrophenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-11-3-8-15-17(9-11)20(12(2)22)16(10-18(23)19-15)13-4-6-14(7-5-13)21(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKey WDGFXBDDOSCIRU-INIZCTEOSA-N
Literature Reference DOI 10.1002/adsc.201000547
Molecular Weight 339.351 g/mol
SMILES N1c2ccc(cc2N([C@@](CC1=O)(c1ccc(cc1)[N+](=O)[O-])[H])C(=O)C)C
SPLASH splash10-0012-0986000000-b1bfd56d5b2672df983b
Source of Spectrum ASC-352-2629/SM4-5e
Wiley ID 1764013