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1,3-Dithiane-2-carboxylic acid, 2-(1-hydroxy-3-phenyl-2-propenyl)-, ethyl ester, (E)-
SpectraBase Compound ID IkAG2WTdv2W
InChI InChI=1S/C16H20O3S2/c1-2-19-15(18)16(20-11-6-12-21-16)14(17)10-9-13-7-4-3-5-8-13/h3-5,7-10,14,17H,2,6,11-12H2,1H3/b10-9+
InChIKey ZIWCKNMQGKIXIB-MDZDMXLPSA-N
Mol Weight 324.45 g/mol
Molecular Formula C16H20O3S2
Exact Mass 324.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8YXUB2z6g
Name 1,3-Dithiane-2-carboxylic acid, 2-(1-hydroxy-3-phenyl-2-propenyl)-, ethyl ester, (E)-
Alternate Name(s) Ethyl 2-[(2E)-1-hydroxy-3-phenyl-2-propenyl]-1,3-dithiane-2-carboxylate Ethylester of 2-(.alpha.-hydroxy-trans-cinnamyl)-1,3-dithian-2-carboxylic acid
CAS Registry Number 79348-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S2
InChI InChI=1S/C16H20O3S2/c1-2-19-15(18)16(20-11-6-12-21-16)14(17)10-9-13-7-4-3-5-8-13/h3-5,7-10,14,17H,2,6,11-12H2,1H3/b10-9+
InChIKey ZIWCKNMQGKIXIB-MDZDMXLPSA-N
Molecular Weight 324.453 g/mol
SMILES OC(\C=C\c1ccccc1)C1(C(=O)OCC)SCCCS1
SPLASH splash10-0159-0900000000-ca169df3d7e561890dbb
Source of Spectrum K-114-2926-0
Wiley ID 1323006