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(2E)-2-(2-furoyl)penta-2,4-dienethioic acid S-methyl ester
SpectraBase Compound ID IlFWsBOM23N
InChI InChI=1S/C11H10O3S/c1-3-5-8(11(13)15-2)10(12)9-6-4-7-14-9/h3-7H,1H2,2H3/b8-5+
InChIKey HXUYFSWGKKETCC-VMPITWQZSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgjCWufNkVs
Name (2E)-2-(2-furoyl)penta-2,4-dienethioic acid S-methyl ester
Alternate Name(s) (2E)-2-[2-furanyl(oxo)methyl]penta-2,4-dienethioic acid S-methyl ester S-methyl (2E)-2-(furan-2-carbonyl)penta-2,4-dienethioate S-methyl (2E)-2-(furan-2-ylcarbonyl)penta-2,4-dienethioate
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Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-3-5-8(11(13)15-2)10(12)9-6-4-7-14-9/h3-7H,1H2,2H3/b8-5+
InChIKey HXUYFSWGKKETCC-VMPITWQZSA-N
Molecular Weight 222.258 g/mol
SMILES C(\C(C(=O)SC)=C/C=C)(c1occc1)=O
SPLASH splash10-002b-9700000000-32eea9bb15e193930efd
Source of Spectrum KC-0-1752-5
Wiley ID 781413