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4-Chloro-3,5-dinitrobenzoic acid
SpectraBase Compound ID 9LNY5i2g6dx
InChI InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChIKey PCTFIHOVQYYAMH-UHFFFAOYSA-N
Mol Weight 246.56 g/mol
Molecular Formula C7H3ClN2O6
Exact Mass 245.967964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9VGCziDPw8
Name Benzoic acid, 4-chloro-3,5-dinitro-
CAS Registry Number 118-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClN2O6
InChI InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChIKey PCTFIHOVQYYAMH-UHFFFAOYSA-N
Molecular Weight 246.562 g/mol
SMILES OC(=O)c1cc(N(=O)=O)c(c(N(=O)=O)c1)Cl
SPLASH splash10-008a-9330000000-b2274c4bd6676e2c8c72
Source of Spectrum W5-0-0-0
Synonyms 3,5-Dinitro-4-chlorobenzoic acid 4-Chloro-3,5-dinitro-benzoic acid 4-Chloro-3,5-dinitrobenzoate EINECS 204-290-1 NSC 76583
Wiley ID 1248305