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3-Chloro-6-(phenylsulfanyl)bicyclo[3.1.1]hept-2-ene
SpectraBase Compound ID DF8ZEIIOBpf
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+/m0/s1
InChIKey QMLKIEYYEPYMST-OPQQBVKSSA-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 DoARJtBrKN6
Name 3-Chloro-6-(phenylsulfanyl)bicyclo[3.1.1]hept-2-ene
CAS Registry Number 102870-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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+/m0/s1
InChIKey QMLKIEYYEPYMST-OPQQBVKSSA-N
Molecular Weight 236.760 g/mol
SMILES C1[C@@]2([C@@]([C@](C=C1Cl)(C2)[H])(Sc1ccccc1)[H])[H]
SPLASH splash10-006x-9510000000-49250f0c0cd532333aa8
Synonyms 3-Chloranyl-6-phenylsulfanyl-bicyclo[3.1.1]hept-3-ene 3-Chloro-6-(phenylthio)bicyclo[3.1.1]hept-3-ene 3-Chloro-6-phenylsulfanyl-bicyclo[3.1.1]hept-3-ene
Wiley ID 1477179