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p-(methylsulfonyl)benzoic acid, methyl ester
SpectraBase Compound ID HitYPx1aRdd
InChI InChI=1S/C9H10O4S/c1-13-9(10)7-3-5-8(6-4-7)14(2,11)12/h3-6H,1-2H3
InChIKey GUGXKWUWYBKREL-UHFFFAOYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C9H10O4S
Exact Mass 214.02998 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DOHgCtBaigH
Name p-(METHYLSULFONYL)BENZOIC ACID, METHYL ESTER
Source of Sample R. Kirrstetter, University of Kiel, Kiel, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c1-13-9(10)7-3-5-8(6-4-7)14(2,11)12/h3-6H,1-2H3
InChIKey GUGXKWUWYBKREL-UHFFFAOYSA-N
Melting Point 119C
Molecular Weight 214.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-/METHYLSULFONYL/-, METHYL ESTER