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3-(2-Thienyl)cyclohexanone
SpectraBase Compound ID 6xAWH1TUcQQ
InChI InChI=1S/C10H12OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h2,5-6,8H,1,3-4,7H2
InChIKey AARCXTPUFVSKNF-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAq0eN71OXm
Name 3-(2-Thienyl)cyclohexanone
CAS Registry Number 71777-97-4
Comments Less than 3 mono-isotopic peaks
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Formula C10H12OS
InChI InChI=1S/C10H12OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h2,5-6,8H,1,3-4,7H2
InChIKey AARCXTPUFVSKNF-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES c1(sccc1)C1CC(=O)CCC1
SPLASH splash10-00di-0900000000-4f0eed7ff7c5cdf9a3f5
Source of Spectrum F-44-2061-0
Synonyms 3-thiophen-2-yl-1-cyclohexanone
Wiley ID 1176057