John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LdTNTMPMvCJ SpectraBase Spectrum ID=1Kq1jY4RxFJ

(accessed ).
(E)-2-CHLORO-3-(4-CHLOROBENZENESULFENYL)-2-PENTENE
SpectraBase Compound ID LdTNTMPMvCJ
InChI InChI=1S/C11H12Cl2S/c1-3-11(8(2)12)14-10-6-4-9(13)5-7-10/h4-7H,3H2,1-2H3/b11-8+
InChIKey IJKOMNBCRDMBOU-DHZHZOJOSA-N
Mol Weight 247.18 g/mol
Molecular Formula C11H12Cl2S
Exact Mass 246.003678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Kq1jY4RxFJ
Name (E)-2-CHLORO-3-(4-CHLOROBENZENESULFENYL)-2-PENTENE
CAS Registry Number 58866-32-3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12Cl2S
InChI InChI=1S/C11H12Cl2S/c1-3-11(8(2)12)14-10-6-4-9(13)5-7-10/h4-7H,3H2,1-2H3/b11-8+
InChIKey IJKOMNBCRDMBOU-DHZHZOJOSA-N
Literature Reference Author G.H.SCHMID,A.MODRO,F.LENZ,D.G.GARRATT,K.YATES
Literature Reference Citation J.ORG.CHEM.,41,13(1976)
Literature Reference DOI 10.1021/jo00863a003
Molecular Weight 247.182 g/mol
Solvent CDCl3
Source File Reference UWCS11410
SpectraBase Batch ID Ba9JYFqs4z4