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(1,1-Dihexylallylthio)benzene
SpectraBase Compound ID IZglmIQXt0V
InChI InChI=1S/C21H34S/c1-4-7-9-14-18-21(6-3,19-15-10-8-5-2)22-20-16-12-11-13-17-20/h6,11-13,16-17H,3-5,7-10,14-15,18-19H2,1-2H3
InChIKey JPPGSLJTSIMIQV-UHFFFAOYSA-N
Mol Weight 318.6 g/mol
Molecular Formula C21H34S
Exact Mass 318.238122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsAOzx97qC2
Name (1,1-Dihexylallylthio)benzene
Alternate Name(s) (1-hexyl-1-vinyl-heptyl)sulfanylbenzene (7-ethenyltridecan-7-ylthio)benzene 7-Ethenyltridecan-7-ylsulfanylbenzene
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Formula C21H34S
InChI InChI=1S/C21H34S/c1-4-7-9-14-18-21(6-3,19-15-10-8-5-2)22-20-16-12-11-13-17-20/h6,11-13,16-17H,3-5,7-10,14-15,18-19H2,1-2H3
InChIKey JPPGSLJTSIMIQV-UHFFFAOYSA-N
Molecular Weight 318.563 g/mol
SMILES C(Sc1ccccc1)(C=C)(CCCCCC)CCCCCC
SPLASH splash10-066r-9200000000-a1b54b9556cd4ec93b3f
Source of Spectrum F-55-9266-4
Wiley ID 838707