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(phenylsulfonyl)acetic acid, methyl ester

View entire compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

(phenylsulfonyl)acetic acid, methyl ester
SpectraBase Compound ID Iv17Cwilr5M
InChI InChI=1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey NLEAIFBNKPYTGN-UHFFFAOYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C9H10O4S
Exact Mass 214.02998 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I62XApjvKDM
Name Methyl phenylsulfonylacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 234184
CAS Registry Number 34097-60-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey NLEAIFBNKPYTGN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methyl benzenesulfonylacetate
Wiley ID SIAL_1HNMR_003630