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Ethyl 3-Oxo-2-(1-phenylprop-2-enyl)thiane-2-carboxylate
SpectraBase Compound ID 2jTB8KXgJoV
InChI InChI=1S/C17H20O3S/c1-3-14(13-9-6-5-7-10-13)17(16(19)20-4-2)15(18)11-8-12-21-17/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3
InChIKey FVEMDPIJPIGFNV-UHFFFAOYSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ts4UW43ACw
Name Ethyl 3-Oxo-2-(1-phenylprop-2-enyl)thiane-2-carboxylate
Alternate Name(s) Ethyl 3-oxo-2-(1-phenyl-2-propenyl)tetrahydro-2H-thiopyran-2-carboxylate
CAS Registry Number 120571-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-3-14(13-9-6-5-7-10-13)17(16(19)20-4-2)15(18)11-8-12-21-17/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3
InChIKey FVEMDPIJPIGFNV-UHFFFAOYSA-N
Molecular Weight 304.404 g/mol
SMILES C1(C(=O)OCC)(C(C=C)c2ccccc2)C(=O)CCCS1
SPLASH splash10-014i-0900000000-0cc662c89e3101238beb
Source of Spectrum F-46-6519-11
Wiley ID 1306432