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METHYL-(Z)-3-PHENYLTHIO-2-HEPTENOATE
SpectraBase Compound ID 7EdFP9uwjw0
InChI InChI=1S/C14H18O2S/c1-3-4-8-13(11-14(15)16-2)17-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11-
InChIKey UYKKYRNFZWFYSZ-QBFSEMIESA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3u7pe95QaUW
Name METHYL-(Z)-3-PHENYLTHIO-2-HEPTENOATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-4-8-13(11-14(15)16-2)17-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11-
InChIKey UYKKYRNFZWFYSZ-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 250.356 g/mol
Solvent CDCl3
Source File Reference UWSI25572