For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-1,2,4-triazole-1-acetamide, 5-bromo-N-(3,4-dimethylphenyl)-3-nitro-
SpectraBase Compound ID BPaN2wyabLy
InChI InChI=1S/C12H12BrN5O3/c1-7-3-4-9(5-8(7)2)14-10(19)6-17-11(13)15-12(16-17)18(20)21/h3-5H,6H2,1-2H3,(H,14,19)
InChIKey WKEWQZLRBNJKOC-UHFFFAOYSA-N
Mol Weight 354.16 g/mol
Molecular Formula C12H12BrN5O3
Exact Mass 353.012352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H3GlvQqKIiS
Name 2-(5-Bromo-3-nitro-[1,2,4]triazol-1-yl)-N-(3,4-dimethyl-phenyl)-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12BrN5O3
InChI InChI=1S/C12H12BrN5O3/c1-7-3-4-9(5-8(7)2)14-10(19)6-17-11(13)15-12(16-17)18(20)21/h3-5H,6H2,1-2H3,(H,14,19)
InChIKey WKEWQZLRBNJKOC-UHFFFAOYSA-N
Molecular Weight 354.164 g/mol
SMILES N(C(C[n]1nc(nc1Br)N(=O)=O)=O)c1cc(C)c(cc1)C
SPLASH splash10-05fs-6921000000-af36fbdba1dafec373c7
Synonyms 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)ethanamide 2-(5-Bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
Wiley ID 1461126