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3-Thia-tert-butylindanone
SpectraBase Compound ID 6CjFgTB2qIh
InChI InChI=1S/C13H16OS/c1-13(2,3)15-12-8-11(14)9-6-4-5-7-10(9)12/h4-7,12H,8H2,1-3H3
InChIKey LCGDIGKSZFHBGH-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Il7JWXStf7
Name 3-Thia-tert-butylindanone
Alternate Name(s) 3-(tert-butylsulfanyl)-1-indanone 3-(tert-butylthio)-2,3-dihydroinden-1-one 3-tert-Butylsulfanylindan-1-one 3-tert-Butylsulfanyl-2,3-dihydroinden-1-one
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Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(2,3)15-12-8-11(14)9-6-4-5-7-10(9)12/h4-7,12H,8H2,1-3H3
InChIKey LCGDIGKSZFHBGH-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(c2c(cccc2)C(C1)=O)SC(C)(C)C
SPLASH splash10-01q9-2910000000-958fb1753ef688c96036
Source of Spectrum C-100-5434-0
Wiley ID 1219827