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METHYL-(Z)-6-CYANO-3-PHENYLTHIO-2-HEXENOATE
SpectraBase Compound ID FqiJL2eKFV9
InChI InChI=1S/C14H15NO2S/c1-17-14(16)11-13(9-5-6-10-15)18-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9H2,1H3/b13-11-
InChIKey WRSPAVNKVGAROB-QBFSEMIESA-N
Mol Weight 261.34 g/mol
Molecular Formula C14H15NO2S
Exact Mass 261.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NC6CiAl2WH
Name METHYL-(Z)-6-CYANO-3-PHENYLTHIO-2-HEXENOATE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15NO2S
InChI InChI=1S/C14H15NO2S/c1-17-14(16)11-13(9-5-6-10-15)18-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9H2,1H3/b13-11-
InChIKey WRSPAVNKVGAROB-QBFSEMIESA-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 261.339 g/mol
Solvent CDCl3
Source File Reference UWSI25579