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3-chloro-3-fluoro-2-thiabicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID 7L15lazn7o6
InChI InChI=1S/C6H6ClFS/c7-6(8)4-1-2-5(3-4)9-6/h1-2,4-5H,3H2/t4-,5+,6-/m1/s1
InChIKey SUWJTXQOZWLJAW-NGJCXOISSA-N
Mol Weight 164.63 g/mol
Molecular Formula C6H6ClFS
Exact Mass 163.986277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDeZonAWnb
Name 3-chloro-3-fluoro-2-thiabicyclo[2.2.1]hept-5-ene
CAS Registry Number 108319-86-4
Comments Less than 3 mono-isotopic peaks
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Formula C6H6ClFS
InChI InChI=1S/C6H6ClFS/c7-6(8)4-1-2-5(3-4)9-6/h1-2,4-5H,3H2/t4-,5+,6-/m1/s1
InChIKey SUWJTXQOZWLJAW-NGJCXOISSA-N
Molecular Weight 164.625 g/mol
SMILES [C@]1(S[C@@]2(C[C@]1(C=C2)[H])[H])(F)Cl
SPLASH splash10-014i-9200000000-ae5f9012c264f097e445
Source of Spectrum K-120-1504-16
Wiley ID 1159791