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3,4-Dinitrobenzoic acid
SpectraBase Compound ID Jn7Vdn7L6Nr
InChI InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChIKey OMVRRHJJQILIJX-UHFFFAOYSA-N
Mol Weight 212.12 g/mol
Molecular Formula C7H4N2O6
Exact Mass 212.006936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3ss7H0XAu2
Name Benzoic acid, 3,4-dinitro-
CAS Registry Number 528-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O6
InChI InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChIKey OMVRRHJJQILIJX-UHFFFAOYSA-N
Molecular Weight 212.117 g/mol
SMILES OC(=O)c1ccc(c(N(=O)=O)c1)N(=O)=O
SPLASH splash10-03e9-9210000000-b9d5eb533ffeeba0e5d9
Source of Spectrum W5-0-0-0
Synonyms 3,4-Dinitrobenzioc acid 3,4-Dinitrobenzoic acid BRN 2055333 CCRIS 3128 EINECS 208-433-9 NSC 60713
Wiley ID 1210772