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3-CHLORO-ENDO-6-(PHENYLTHIO)-BICYCLO-[3.1.1]-HEPT-2-ENE
SpectraBase Compound ID INB5tdF2BL6
InChI InChI=1S/C13H13ClS/c14-11-7-9-6-10(8-11)13(9)15-12-4-2-1-3-5-12/h1-5,7,9-10,13H,6,8H2/t9-,10+,13+/m1/s1
InChIKey QMLKIEYYEPYMST-NRUUGDAUSA-N
Mol Weight 236.76 g/mol
Molecular Formula C13H13ClS
Exact Mass 236.042649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Idqdvxf5u5p
Name 3-CHLORO-ENDO-6-(PHENYLTHIO)-BICYCLO-[3.1.1]-HEPT-2-ENE
CAS Registry Number 102870-57-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClS
InChI InChI=1S/C13H13ClS/c14-11-7-9-6-10(8-11)13(9)15-12-4-2-1-3-5-12/h1-5,7,9-10,13H,6,8H2/t9-,10+,13+/m1/s1
InChIKey QMLKIEYYEPYMST-NRUUGDAUSA-N
Literature Reference Author C.HERZOG,R.LANG,D.BRUECKNER,P.KEMMER,M.CHRISTL
Literature Reference Citation CHEM.BER.,119,3027(1986)
Literature Reference DOI 10.1002/cber.19861191011
Molecular Weight 236.759 g/mol
Solvent CDCl3
Source File Reference UWGB1571