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3-Chloro-4-methyl-benzoic acid

View entire compound with spectra: 2 FTIR, 1 Raman, and 6 MS (GC)

3-Chloro-4-methyl-benzoic acid
SpectraBase Compound ID 3R0ZondlNeR
InChI InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey SDKUOEOJAXGCLU-UHFFFAOYSA-N
Mol Weight 170.59 g/mol
Molecular Formula C8H7ClO2
Exact Mass 170.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WR2J8FKDFe
Name 3-Chloro-4-methyl-benzoic acid
Alternate Name(s) 3-chloranyl-4-methyl-benzoic acid 3-Chloro-p-toluic acid Benzoic acid, 3-chloro-4-methyl- p-Toluic acid, 3-chloro- BRN 1936498
CAS Registry Number 5162-82-3
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820861
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey SDKUOEOJAXGCLU-UHFFFAOYSA-N
Molecular Weight 170.595 g/mol
SMILES OC(c1cc(c(C)cc1)Cl)=O
SPLASH splash10-016r-9100000000-4308c01ca62417354e6f
Wiley ID 1472158