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5-Methyl-2,3-dihydrothiophene-4-carboxylic acid ethyl ester
SpectraBase Compound ID IU8JFN0pTwN
InChI InChI=1S/C8H12O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h3-5H2,1-2H3
InChIKey QXPUCLJLUPGDLK-UHFFFAOYSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFA7fxXheay
Name 5-Methyl-2,3-dihydrothiophene-4-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-methyl-2,3-dihydrothiophene-4-carboxylate
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Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h3-5H2,1-2H3
InChIKey QXPUCLJLUPGDLK-UHFFFAOYSA-N
Molecular Weight 172.242 g/mol
SMILES C1(=C(SCC1)C)C(=O)OCC
SPLASH splash10-00bc-0900000000-f1358bc01d7fb2f7884a
Source of Spectrum KC-0-2404-3
Wiley ID 781906