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METHYL-(Z)-3-PHENYLTHIO-2-NONENOATE
SpectraBase Compound ID C9elZiJdWSV
InChI InChI=1S/C16H22O2S/c1-3-4-5-7-12-15(13-16(17)18-2)19-14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13-
InChIKey FBKIEJDKKQZKLJ-SQFISAMPSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAsobj38qiZ
Name METHYL-(Z)-3-PHENYLTHIO-2-NONENOATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-3-4-5-7-12-15(13-16(17)18-2)19-14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13-
InChIKey FBKIEJDKKQZKLJ-SQFISAMPSA-N
Literature Reference Author R.HUA,H.TAKEDA,S.Y.ONOZAWA,Y.ABE,M.TANAKA
Literature Reference Citation J.AM.CHEM.SOC.,123,2899(2001)
Literature Reference DOI 10.1021/ja004063t
Molecular Weight 278.409 g/mol
Solvent CDCl3
Source File Reference UWSI25571