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Chlorobenzoic acid, methyl ester

View entire compound with spectra: 12 NMR, 6 FTIR, 1 Raman, and 15 MS (GC)

Chlorobenzoic acid, methyl ester
SpectraBase Compound ID 972nIIBb2xe
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey LXNFVVDCCWUUKC-UHFFFAOYSA-N
Mol Weight 170.59 g/mol
Molecular Formula C8H7ClO2
Exact Mass 170.013457 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYiQsNkawgA
Name 4-CHLOROBENZOIC-ACID,METHYLESTER
CAS Registry Number 1126-46-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey LXNFVVDCCWUUKC-UHFFFAOYSA-N
Literature Reference Author D.MONTI,F.ORSINI,G.S.RICCA
Literature Reference Citation SPECTROSC.LETT.,19,91(1986)
Literature Reference DOI 10.1080/00387018608069223
Solvent CDCl3
Source File Reference UNIO569