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METHYL-(Z)-6-CHLORO-3-PHENYLTHIO-2-HEXENOATE
SpectraBase Compound ID B5FUpNezklx
InChI InChI=1S/C13H15ClO2S/c1-16-13(15)10-12(8-5-9-14)17-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10-
InChIKey ZXRFIWYRJWHKOU-BENRWUELSA-N
Mol Weight 270.77 g/mol
Molecular Formula C13H15ClO2S
Exact Mass 270.048129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6z21Rkfzyq2
Name METHYL-(Z)-6-CHLORO-3-PHENYLTHIO-2-HEXENOATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15ClO2S
InChI InChI=1S/C13H15ClO2S/c1-16-13(15)10-12(8-5-9-14)17-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10-
InChIKey ZXRFIWYRJWHKOU-BENRWUELSA-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 270.774 g/mol
Solvent CDCl3
Source File Reference UWSI25578