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1,3-Dithiane-2-propanoic acid, .alpha.-(phenylmethylene)-, ethyl ester, (E)-
SpectraBase Compound ID KNGuHWwmUGG
InChI InChI=1S/C16H20O2S2/c1-2-18-16(17)14(11-13-7-4-3-5-8-13)12-15-19-9-6-10-20-15/h3-5,7-8,11,15H,2,6,9-10,12H2,1H3/b14-11+
InChIKey MIAWDZPBHTZVDQ-SDNWHVSQSA-N
Mol Weight 308.45 g/mol
Molecular Formula C16H20O2S2
Exact Mass 308.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cHzXjC9hkP
Name 1,3-Dithiane-2-propanoic acid, .alpha.-(phenylmethylene)-, ethyl ester, (E)-
CAS Registry Number 64739-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S2
InChI InChI=1S/C16H20O2S2/c1-2-18-16(17)14(11-13-7-4-3-5-8-13)12-15-19-9-6-10-20-15/h3-5,7-8,11,15H,2,6,9-10,12H2,1H3/b14-11+
InChIKey MIAWDZPBHTZVDQ-SDNWHVSQSA-N
Molecular Weight 308.454 g/mol
SMILES C(\C(=C\c1ccccc1)CC1SCCCS1)(=O)OCC
SPLASH splash10-014i-7900000000-9239460148f48b4ebaa6
Source of Spectrum J-43-1258-0
Synonyms 2-(2-Ethoxycarbonyl-3-phenyl-2-propenyl)-1,3-dithiane Ethyl (2E)-2-(1,3-dithian-2-ylmethyl)-3-phenyl-2-propenoate
Wiley ID 1309627