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exo-3-(o-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID 7CqfVDBnG47
InChI InChI=1S/C13H13ClS/c14-12-4-2-1-3-11(12)13-9-5-7-10(15-13)8-6-9/h1-5,7,9-10,13H,6,8H2
InChIKey USJRUFIRGBKHOM-UHFFFAOYSA-N
Mol Weight 236.76 g/mol
Molecular Formula C13H13ClS
Exact Mass 236.042649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13uTO27Ba5g
Name exo-3-(o-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene
Alternate Name(s) endo-3-(o-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene 3-(2-Chlorophenyl)-2-thiabicyclo[2.2.2]oct-5-ene
CAS Registry Number 136912-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClS
InChI InChI=1S/C13H13ClS/c14-12-4-2-1-3-11(12)13-9-5-7-10(15-13)8-6-9/h1-5,7,9-10,13H,6,8H2
InChIKey USJRUFIRGBKHOM-UHFFFAOYSA-N
Molecular Weight 236.760 g/mol
SMILES C1(c2c(Cl)cccc2)SC2C=CC1CC2
SPLASH splash10-056r-9400000000-ca680d85e96b7b975e8d
Source of Spectrum J-56-7325-6
Wiley ID 1237954