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2,2,6,6-Tetramethyl-5-phenylthiohept-4-en-3-one
SpectraBase Compound ID CIfMYnvb5EV
InChI InChI=1S/C17H24OS/c1-16(2,3)14(18)12-15(17(4,5)6)19-13-10-8-7-9-11-13/h7-12H,1-6H3/b15-12+
InChIKey GPXSGLCYJLHDNE-NTCAYCPXSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf32NHZ0Lul
Name 2,2,6,6-Tetramethyl-5-phenylthiohept-4-en-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-16(2,3)14(18)12-15(17(4,5)6)19-13-10-8-7-9-11-13/h7-12H,1-6H3/b15-12+
InChIKey GPXSGLCYJLHDNE-NTCAYCPXSA-N
Molecular Weight 276.438 g/mol
SMILES c1(S\C(=C\C(C(C)(C)C)=O)C(C)(C)C)ccccc1
SPLASH splash10-014i-0090000000-3a1769b2f568bd84eeee
Source of Spectrum SO-0-219-7
Synonyms (4E)-2,2,6,6-tetramethyl-5-(phenylsulfanyl)-4-hepten-3-one
Wiley ID 874201