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3-(Chloromethyl)benzo[b]thiophene
SpectraBase Compound ID H1HfFoQ2fq1
InChI InChI=1S/C9H7ClS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKey JIXGRXJTSCZWNB-UHFFFAOYSA-N
Mol Weight 182.67 g/mol
Molecular Formula C9H7ClS
Exact Mass 181.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sBQmFGUHTZ
Name 3-(Chloromethyl)benzo[b]thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C9H7ClS
InChI InChI=1S/C9H7ClS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKey JIXGRXJTSCZWNB-UHFFFAOYSA-N
Molecular Weight 182.668 g/mol
SMILES c1sc2c(c1CCl)cccc2
SPLASH splash10-0002-0900000000-8b65b10956b740b7b8ce
Source of Spectrum A1-16-2422/SM16-2d
Synonyms 3-(chloromethyl)-1-benzothiophene
Wiley ID 1749447