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2-But-3-en-2-yl-3-oxo-2-thianecarboxylic acid ethyl ester
SpectraBase Compound ID 7GpzYSdFQy8
InChI InChI=1S/C12H18O3S/c1-4-9(3)12(11(14)15-5-2)10(13)7-6-8-16-12/h4,9H,1,5-8H2,2-3H3
InChIKey LRRYUSUZXUVEIS-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12VbaAufGZV
Name 2-But-3-en-2-yl-3-oxo-2-thianecarboxylic acid ethyl ester
CAS Registry Number 131327-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-4-9(3)12(11(14)15-5-2)10(13)7-6-8-16-12/h4,9H,1,5-8H2,2-3H3
InChIKey LRRYUSUZXUVEIS-UHFFFAOYSA-N
Molecular Weight 242.333 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCS1)C(C=C)C
SPLASH splash10-0006-0920000000-44bd15bd98b5b940de17
Source of Spectrum F-46-6519-11
Synonyms 3-keto-2-(1-methylallyl)tetrahydrothiopyran-2-carboxylic acid ethyl ester Ethyl 2-(1-methyl-2-propenyl)-3-oxotetrahydro-2H-thiopyran-2-carboxylate Ethyl 2-(1-methylallyl)-3-oxo-tetrahydrothiopyran-2-carboxylate Ethyl 2-but-3-en-2-yl-3-oxidanylidene-thiane-2-carboxylate Ethyl 2-but-3-en-2-yl-3-oxothiane-2-carboxylate
Wiley ID 1244806