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

*Links on SpectraBase are not permalinks.

4-Chloro-3,5-dinitrobenzoic acid

View entire compound with spectra: 9 NMR, 3 FTIR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID B9LYPx3bj1U
Name 4-CHLORO-3,5-DINITROBENZOIC ACID
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 118-97-8
Copyright Copyright © 1980, 1981-2024 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
Melting Point 160C
Molecular Weight 246.56
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, 4-CHLORO-3,5-DINITRO-,