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3-(Phenylsulfonylthio)guaiazulene
SpectraBase Compound ID GeDOnaITzmn
InChI InChI=1S/C21H22O2S2/c1-14(2)17-11-10-15(3)21-19(13-17)16(4)12-20(21)24-25(22,23)18-8-6-5-7-9-18/h5-14H,1-4H3
InChIKey HYLUOXUECLDWIM-UHFFFAOYSA-N
Mol Weight 370.53 g/mol
Molecular Formula C21H22O2S2
Exact Mass 370.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PTIPk2111
Name 3-(Phenylsulfonylthio)guaiazulene
Comments Less than 3 mono-isotopic peaks
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Formula C21H22O2S2
InChI InChI=1S/C21H22O2S2/c1-14(2)17-11-10-15(3)21-19(13-17)16(4)12-20(21)24-25(22,23)18-8-6-5-7-9-18/h5-14H,1-4H3
InChIKey HYLUOXUECLDWIM-UHFFFAOYSA-N
Molecular Weight 370.525 g/mol
SMILES c12c(c(SS(=O)(=O)c3ccccc3)cc1C)c(ccc(c2)C(C)C)C
SPLASH splash10-000i-0009000000-7733c3605fcdabc6ec52
Source of Spectrum AJ-69-2003-23
Synonyms S-(5-isopropyl-3,8-dimethyl-1-azulenyl) benzenesulfonothioate
Wiley ID 773665