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4-(Methylthio)phenylacetic acid

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

4-(Methylthio)phenylacetic acid
SpectraBase Compound ID Dr5mOrtoxLg
InChI InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey AHMLFHMRRBJCRM-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BmEXN1GcsZk
Name 4-(Methylthio)phenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 396591
CAS Registry Number 16188-55-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey AHMLFHMRRBJCRM-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_008668