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(E)-(S)s-3-Methoxycarbonyl-3-p-tolylsulfinylpropenoic acid
SpectraBase Compound ID Ea1vWwPgvic
InChI InChI=1S/C12H12O5S/c1-8-3-5-9(6-4-8)18(16)10(12(14)15)7-11(13)17-2/h3-7H,1-2H3,(H,14,15)/b10-7+
InChIKey ZLOMZSUPWZGLCF-JXMROGBWSA-N
Mol Weight 268.28 g/mol
Molecular Formula C12H12O5S
Exact Mass 268.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8I4J2HMkQF
Name (E)-(S)s-3-Methoxycarbonyl-3-p-tolylsulfinylpropenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5S
InChI InChI=1S/C12H12O5S/c1-8-3-5-9(6-4-8)18(16)10(12(14)15)7-11(13)17-2/h3-7H,1-2H3,(H,14,15)/b10-7+
InChIKey ZLOMZSUPWZGLCF-JXMROGBWSA-N
Molecular Weight 268.283 g/mol
SMILES OC(\C([S@](c1ccc(cc1)C)=O)=C/C(=O)OC)=O
SPLASH splash10-004i-1900000000-474157eb5584bfc4464e
Source of Spectrum QC-2-1202-3
Synonyms (2E)-4-methoxy-2-[(4-methylphenyl)sulfinyl]-4-oxo-2-butenoic acid
Wiley ID 883045