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6-Hydroxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate
SpectraBase Compound ID HhIvA6KzSmW
InChI InChI=1S/C11H12N2O.C6H3N3O7/c1-7-6-8(2)13-11-9(12-7)4-3-5-10(11)14;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 BSULWQGRGPJUIV-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 60Pj1nWRV2X
Name 6-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/c1-7-6-8(2)13-11-9(12-7)4-3-5-10(11)14;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 BSULWQGRGPJUIV-UHFFFAOYSA-N
Molecular Weight 417.334 g/mol
SMILES [NH+]1=C(C=C(C)Nc2c(cccc12)O)C.c1(c(c(N(=O)=O)cc(N(=O)=O)c1)[O-])N(=O)=O
SPLASH splash10-0gw0-9600000000-ee44725d49bad4ce87a0
Source of Spectrum O1-60-2650-7
Synonyms 6-Hydroxy-2,4-dimethyl-5H-1,5-benzodiazepin-1-ium 2,4,6-trinitrobenzenolate
Wiley ID 1592250