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(2E)-2-p-anisoylpenta-2,4-dienethioic acid S-methyl ester
SpectraBase Compound ID BLYv7bgQDV8
InChI InChI=1S/C14H14O3S/c1-4-5-12(14(16)18-3)13(15)10-6-8-11(17-2)9-7-10/h4-9H,1H2,2-3H3/b12-5+
InChIKey RBMUFWNBCLQLKA-LFYBBSHMSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SIVpHuY4Cr
Name (2E)-2-p-anisoylpenta-2,4-dienethioic acid S-methyl ester
Alternate Name(s) (2E)-2-[(4-methoxyphenyl)-oxomethyl]penta-2,4-dienethioic acid S-methyl ester S-methyl (2E)-2-(4-methoxybenzoyl)penta-2,4-dienethioate S-methyl (2E)-2-(4-methoxyphenyl)carbonylpenta-2,4-dienethioate
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Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c1-4-5-12(14(16)18-3)13(15)10-6-8-11(17-2)9-7-10/h4-9H,1H2,2-3H3/b12-5+
InChIKey RBMUFWNBCLQLKA-LFYBBSHMSA-N
Molecular Weight 262.323 g/mol
SMILES C(\C(C(=O)SC)=C/C=C)(c1ccc(cc1)OC)=O
SPLASH splash10-000i-0910000000-89126e892a96fab0b8df
Source of Spectrum KC-0-1751-5
Wiley ID 781415