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N-Benzyl-2,4-dinitro-6-phenylmethanesulfonyl-benzamide
SpectraBase Compound ID BSbDG5mwTf2
InChI InChI=1S/C21H17N3O7S/c25-21(22-13-15-7-3-1-4-8-15)20-18(24(28)29)11-17(23(26)27)12-19(20)32(30,31)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,25)
InChIKey LXWPGWZZBZPNQK-UHFFFAOYSA-N
Mol Weight 455.44 g/mol
Molecular Formula C21H17N3O7S
Exact Mass 455.078721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LLAThW7b6J
Name N-Benzyl-2,4-dinitro-6-phenylmethanesulfonyl-benzamide
Alternate Name(s) N-Benzyl-2-(benzylsulfonyl)-4,6-dinitrobenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O7S
InChI InChI=1S/C21H17N3O7S/c25-21(22-13-15-7-3-1-4-8-15)20-18(24(28)29)11-17(23(26)27)12-19(20)32(30,31)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,25)
InChIKey LXWPGWZZBZPNQK-UHFFFAOYSA-N
Molecular Weight 455.441 g/mol
SMILES N(C(c1c(S(Cc2ccccc2)(=O)=O)cc(N(=O)=O)cc1N(=O)=O)=O)Cc1ccccc1
SPLASH splash10-0006-9200000000-609c79603bf7c8884137
Wiley ID 1454608