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exo-3-(p-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID Gl3UWVJXE9h
InChI InChI=1S/C13H13ClS/c14-11-5-1-9(2-6-11)13-10-3-7-12(15-13)8-4-10/h1-3,5-7,10,12-13H,4,8H2
InChIKey RZZSBPUNYHKHMP-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 EJOGZwVOtuD
Name exo-3-(p-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene
Alternate Name(s) endo-3-(p-Chlorophenyl)-2-thiobicyclo[2.2.2]oct-5-ene 3-(4-Chlorophenyl)-2-thiabicyclo[2.2.2]oct-5-ene
CAS Registry Number 136912-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClS
InChI InChI=1S/C13H13ClS/c14-11-5-1-9(2-6-11)13-10-3-7-12(15-13)8-4-10/h1-3,5-7,10,12-13H,4,8H2
InChIKey RZZSBPUNYHKHMP-UHFFFAOYSA-N
Molecular Weight 236.760 g/mol
SMILES C1(SC2C=CC1CC2)c1ccc(cc1)Cl
SPLASH splash10-0560-9400000000-6bbb9dc58585fd68bd54
Source of Spectrum J-56-7325-5
Wiley ID 1237952