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S-(3,4-DIMETHOXY)-PHENYL-3-METHYL-BUT-2-ENE-THIOATE
SpectraBase Compound ID 2L4bAc2FrPI
InChI InChI=1S/C13H16O3S/c1-9(2)7-13(14)17-10-5-6-11(15-3)12(8-10)16-4/h5-8H,1-4H3
InChIKey FODNJAOROKTRHG-UHFFFAOYSA-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 GXqLKhyw3RO
Name 3-methyl-2-butenethioic acid S-(3,4-dimethoxyphenyl) ester
CAS Registry Number 87324-42-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-9(2)7-13(14)17-10-5-6-11(15-3)12(8-10)16-4/h5-8H,1-4H3
InChIKey FODNJAOROKTRHG-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(C=C(C)C)(Sc1cc(OC)c(cc1)OC)=O
SPLASH splash10-001i-9010000000-07027b7b3e78da2af413
Source of Spectrum Y-20-1116-0
Synonyms 3-methylbut-2-enethioic acid S-(3,4-dimethoxyphenyl) ester S-(3,4-dimethoxyphenyl) 3-methylbut-2-enethioate
Wiley ID 1255297