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5-(t-Butyl)-4-methyltthiophen-2(5H)-one
SpectraBase Compound ID 3hUsXjU5tJG
InChI InChI=1S/C9H14OS/c1-6-5-7(10)11-8(6)9(2,3)4/h5,8H,1-4H3
InChIKey ONQCXXKUFINPQE-UHFFFAOYSA-N
Mol Weight 170.27 g/mol
Molecular Formula C9H14OS
Exact Mass 170.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85uA2MeE7ws
Name 5-(t-Butyl)-4-methyltthiophen-2(5H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H14OS
InChI InChI=1S/C9H14OS/c1-6-5-7(10)11-8(6)9(2,3)4/h5,8H,1-4H3
InChIKey ONQCXXKUFINPQE-UHFFFAOYSA-N
Molecular Weight 170.270 g/mol
SMILES C1(SC(C=C1C)=O)C(C)(C)C
SPLASH splash10-03di-0900000000-68b322a5370e00eabfc1
Source of Spectrum H-80-513-6
Synonyms 5-tert-butyl-4-methyl-2(5H)-thiophenone
Wiley ID 1166496