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3-Chloro-2-methylbenzoic acid

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

3-Chloro-2-methylbenzoic acid
SpectraBase Compound ID 4gJgm2s7fik
InChI InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey HXGHMCLCSPQMOR-UHFFFAOYSA-N
Mol Weight 170.59 g/mol
Molecular Formula C8H7ClO2
Exact Mass 170.013457 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVVvsj4gc6R
Name 3-Chloro-2-methylbenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 518409
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey HXGHMCLCSPQMOR-UHFFFAOYSA-N
Molecular Weight 170.595 g/mol
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015057