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3,5-Dinitro-o-toluic acid
SpectraBase Compound ID 8NLhsGcDTQx
InChI InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey CDVNZMKTJIBBBV-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8idz8xtP9Rb
Name 2-Methyl-3,5-dinitrobenzoic acid
Alternate Name(s) 3,5-Dinitro-2-methylbenzoic acid 3,5-Dinitro-o-toluic acid 3,5-Dinitrotoluic acid Benzoic acid, 2-methyl-3,5-dinitro- o-Toluic acid, 3,5-dinitro-
CAS Registry Number 28169-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey CDVNZMKTJIBBBV-UHFFFAOYSA-N
Molecular Weight 226.144 g/mol
SMILES OC(c1c(c(N(=O)=O)cc(N(=O)=O)c1)C)=O
SPLASH splash10-0a4i-7940000000-d2283becae525b133b16
Source of Spectrum RB-1982-14290-0
Wiley ID 1226755