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2-Allyl-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester
SpectraBase Compound ID 3MvRaj3c5xf
InChI InChI=1S/C11H16O3S/c1-3-7-11(10(13)14-4-2)9(12)6-5-8-15-11/h3H,1,4-8H2,2H3
InChIKey YFKMPVLUGZNANQ-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gZMMNRFG4q
Name 2-Allyl-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester
CAS Registry Number 120571-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-3-7-11(10(13)14-4-2)9(12)6-5-8-15-11/h3H,1,4-8H2,2H3
InChIKey YFKMPVLUGZNANQ-UHFFFAOYSA-N
Molecular Weight 228.306 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCS1)CC=C
SPLASH splash10-004r-8970000000-43e446a690d1c56d9a35
Source of Spectrum F-46-6519-11
Synonyms 3-Oxo-2-prop-2-enyl-2-thianecarboxylic acid ethyl ester Ethyl 2-allyl-3-oxo-tetrahydrothiopyran-2-carboxylate Ethyl 2-allyl-3-oxotetrahydro-2H-thiopyran-2-carboxylate Ethyl 3-oxidanylidene-2-prop-2-enyl-thiane-2-carboxylate Ethyl 3-oxo-2-prop-2-enylthiane-2-carboxylate
Wiley ID 1229362