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2-Methoxy-4-methylsulfanylbenzoic acid

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

2-Methoxy-4-methylsulfanylbenzoic acid
SpectraBase Compound ID 8wzRi0gkRE3
InChI InChI=1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UOPCPHJGGRTYNC-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GtZRLBUGtx6
Name 2-Methoxy-4-(methylthio)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 272876
CAS Registry Number 72856-73-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3S
InChI 1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UOPCPHJGGRTYNC-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-(Methylthio)-o-anisic acid
Wiley ID SIAL_1HNMR_004926