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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXTGzVibSXY
Name Benzoic acid, 4-(methylsulfonyl)-, methyl ester
Copyright Copyright © 2020-2024 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
Molecular Weight 214.235 g/mol
SMILES COC(=O)c1ccc(cc1)S(C)(=O)=O
SPLASH splash10-0ufr-9300000000-0e93ed713018712c6ae0
Source of Spectrum JX-2015-0-190
Synonyms Methyl 4-(methylsulfonyl)benzoate Methyl 4-methanesulfonylbenzoate 4-Methylsulfonylbenzoic acid methyl ester Methyl 4-methylsulfonylbenzoate
Wiley ID 1720159