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3,exo-4-dichlor-endo-6-(phenylthio)bicyclo[3.1.1]hept-2-ene
SpectraBase Compound ID JF8dRcpObkJ
InChI InChI=1S/C13H12Cl2S/c14-11-7-8-6-10(12(11)15)13(8)16-9-4-2-1-3-5-9/h1-5,7-8,10,12-13H,6H2
InChIKey RCWZTDNIXQELID-UHFFFAOYSA-N
Mol Weight 271.2 g/mol
Molecular Formula C13H12Cl2S
Exact Mass 270.003677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QtvhaYJZLI
Name 3,exo-4-dichlor-endo-6-(phenylthio)bicyclo[3.1.1]hept-2-ene
Alternate Name(s) 3,4-dichloro-6-(phenylsulfanyl)bicyclo[3.1.1]hept-2-ene 3,4-dichlorobicyclo[3.1.1]hept-2-en-6-yl phenyl sulfide 3,exo-4-dichlor-endo-6-(phenylthio)bicyclo[3.1.1]hept-2-en
CAS Registry Number 102870-48-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12Cl2S
InChI InChI=1S/C13H12Cl2S/c14-11-7-8-6-10(12(11)15)13(8)16-9-4-2-1-3-5-9/h1-5,7-8,10,12-13H,6H2
InChIKey RCWZTDNIXQELID-UHFFFAOYSA-N
Molecular Weight 271.205 g/mol
SMILES C12C(Sc3ccccc3)C(C1)C=C(C2Cl)Cl
SPLASH splash10-004i-0900000000-ac6ee61a3dd9ab110482
Source of Spectrum K-119-3040-6
Wiley ID 1273812