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7-Methoxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate
SpectraBase Compound ID IwbCuETSqO2
InChI InChI=1S/C12H14N2O.C6H3N3O7/c1-8-6-9(2)14-12-7-10(15-3)4-5-11(12)13-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7,14H,1-3H3;1-2,10H
InChIKey NPLVJYHKQQTPMS-UHFFFAOYSA-N
Mol Weight 431.36 g/mol
Molecular Formula C18H17N5O8
Exact Mass 431.107713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Pism26zMuV
Name 7-Methoxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N5O8
InChI InChI=1S/C12H14N2O.C6H3N3O7/c1-8-6-9(2)14-12-7-10(15-3)4-5-11(12)13-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7,14H,1-3H3;1-2,10H
InChIKey NPLVJYHKQQTPMS-UHFFFAOYSA-N
Molecular Weight 431.361 g/mol
SMILES c1([O-])c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[NH+]1=C(C=C(Nc2c1ccc(c2)OC)C)C
SPLASH splash10-0udr-2890000000-d17fdfb33e3af6a6efaf
Source of Spectrum O1-60-2650-7
Synonyms 7-Methoxy-2,4-dimethyl-5H-1,5-benzodiazepin-1-ium 2,4,6-trinitrobenzenolate
Wiley ID 1592248