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4-(Allenylthio)-3-methyl-2-vinyl-2-cyclohexene-1-one Dimethylene Dithioketal
SpectraBase Compound ID G99nC9MH98h
InChI InChI=1S/C14H18S3/c1-4-8-15-13-6-7-14(16-9-10-17-14)12(5-2)11(13)3/h5,8,13H,1-2,6-7,9-10H2,3H3
InChIKey INKLKLZOEQZHCH-UHFFFAOYSA-N
Mol Weight 282.48 g/mol
Molecular Formula C14H18S3
Exact Mass 282.057064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6wHYN8tOEx
Name 4-(Allenylthio)-3-methyl-2-vinyl-2-cyclohexene-1-one Dimethylene Dithioketal
Alternate Name(s) 10-ethenyl-9-methyl-8-(propa-1,2-dienylthio)-1,4-dithiaspiro[4.5]dec-9-ene 10-ethenyl-9-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-9-ene 7-methyl-6-vinyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl 1,2-propadienyl sulfide 7-methyl-8-(1,2-propadienylsulfanyl)-6-vinyl-1,4-dithiaspiro[4.5]dec-6-ene 9-methyl-8-(propa-1,2-dienylthio)-10-vinyl-1,4-dithiaspiro[4.5]dec-9-ene 9-methyl-8-propa-1,2-dienylsulfanyl-10-vinyl-1,4-dithiaspiro[4.5]dec-9-ene 6-ethenyl-7-methyl-8-(propa-1,2-dienylthio)-1,4-dithiaspiro[4.5]dec-6-ene 7-methyl-8-propa-1,2-dienylsulfanyl-6-vinyl-1,4-dithiaspiro[4.5]dec-6-ene 6-ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
Comments Less than 3 mono-isotopic peaks
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Formula C14H18S3
InChI InChI=1S/C14H18S3/c1-4-8-15-13-6-7-14(16-9-10-17-14)12(5-2)11(13)3/h5,8,13H,1-2,6-7,9-10H2,3H3
InChIKey INKLKLZOEQZHCH-UHFFFAOYSA-N
Molecular Weight 282.478 g/mol
SMILES C=1(C2(SCCS2)CCC(C1C)SC=C=C)C=C
SPLASH splash10-03di-0090000000-246b8fa35e4f4eef9449
Source of Spectrum J-59-1631-22
Wiley ID 1285654