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7-Hydroxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate
SpectraBase Compound ID LJB6si8EdIG
InChI InChI=1S/C11H12N2O.C6H3N3O7/c1-7-5-8(2)13-11-6-9(14)3-4-10(11)12-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,13-14H,1-2H3;1-2,10H
InChIKey DAORRAVGPUVHNI-UHFFFAOYSA-N
Mol Weight 417.33 g/mol
Molecular Formula C17H15N5O8
Exact Mass 417.092062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9y5j6YIhC5z
Name 7-Hydroxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N5O8
InChI InChI=1S/C11H12N2O.C6H3N3O7/c1-7-5-8(2)13-11-6-9(14)3-4-10(11)12-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,13-14H,1-2H3;1-2,10H
InChIKey DAORRAVGPUVHNI-UHFFFAOYSA-N
Molecular Weight 417.334 g/mol
SMILES c1([O-])c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[NH+]1=C(C=C(Nc2cc(ccc12)O)C)C
SPLASH splash10-002r-6900000000-00676fabb6b46f355fd7
Source of Spectrum O1-60-2650-7
Synonyms 7-Hydroxy-2,4-dimethyl-5H-1,5-benzodiazepin-1-ium 2,4,6-trinitrobenzenolate
Wiley ID 1592249