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1-(Chloromethyl)-4-[(octylsulfinyl)methyl]-2,5-dimethylbenzene
SpectraBase Compound ID AEx2kKP6wJR
InChI InChI=1S/C18H29ClOS/c1-4-5-6-7-8-9-10-21(20)14-18-12-15(2)17(13-19)11-16(18)3/h11-12H,4-10,13-14H2,1-3H3
InChIKey KYQWAVODBOYSLQ-UHFFFAOYSA-N
Mol Weight 328.94 g/mol
Molecular Formula C18H29ClOS
Exact Mass 328.162764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwCgnJFRG3h
Name 1-(Chloromethyl)-4-[(octylsulfinyl)methyl]-2,5-dimethylbenzene
Alternate Name(s) 1-(chloromethyl)-2,5-dimethyl-4-[(octylsulfinyl)methyl]benzene 4-(chloromethyl)-2,5-dimethylbenzyl octyl sulfoxide
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Formula C18H29ClOS
InChI InChI=1S/C18H29ClOS/c1-4-5-6-7-8-9-10-21(20)14-18-12-15(2)17(13-19)11-16(18)3/h11-12H,4-10,13-14H2,1-3H3
InChIKey KYQWAVODBOYSLQ-UHFFFAOYSA-N
Molecular Weight 328.942 g/mol
SMILES c1(c(cc(c(c1)C)CS(=O)CCCCCCCC)C)CCl
SPLASH splash10-001i-0900000000-596f31cb18d9eefc84b0
Source of Spectrum J-65-288-4
Wiley ID 1532044