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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KhyHFqlSDlr
Name 4-Chloro-3,5-dinitrobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C38907
CAS Registry Number 118-97-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_011130