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Methyl (2E,Rs)-4-(p-tolylsulfinyl)-2-pentenoate
SpectraBase Compound ID HCGlK7dMoDA
InChI InChI=1S/C13H16O3S/c1-10-4-7-12(8-5-10)17(15)11(2)6-9-13(14)16-3/h4-8H,9H2,1-3H3/b11-6+
InChIKey IBJMZSAYKYACII-IZZDOVSWSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Yj8f0Yd9sX
Name Methyl (2E,Rs)-4-(p-tolylsulfinyl)-2-pentenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-10-4-7-12(8-5-10)17(15)11(2)6-9-13(14)16-3/h4-8H,9H2,1-3H3/b11-6+
InChIKey IBJMZSAYKYACII-IZZDOVSWSA-N
Molecular Weight 252.328 g/mol
SMILES C(\C=C/([S@@](c1ccc(cc1)C)=O)C)C(=O)OC
SPLASH splash10-03dl-3900000000-13d5aaf4ffaacf07ca9c
Source of Spectrum QC-7-1825-8
Synonyms Methyl (2E)-4-[(4-methylphenyl)sulfinyl]-2-pentenoate
Wiley ID 869232