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

*Links on SpectraBase are not permalinks.
3,5-Dinitro-p-toluic acid
SpectraBase Compound ID JXxTWitpT08
InChI InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey LZWWZQXBKVZKIP-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 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 GojtXECy8DJ
Name 4-Methyl-3,5-dinitrobenzoic acid
CAS Registry Number 16533-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey LZWWZQXBKVZKIP-UHFFFAOYSA-N
Molecular Weight 226.144 g/mol
SMILES OC(=O)c1cc(N(=O)=O)c(C)c(N(=O)=O)c1
SPLASH splash10-0bt9-9040000000-17bbcd8242099880e124
Source of Spectrum IC-594-0-0
Synonyms 3,5-Dinitro-p-toluic acid Benzoic acid, 4-methyl-3,5-dinitro- p-Toluic acid, 3,5-dinitro- AI3-14622 EINECS 240-603-8
Wiley ID 1226757