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{1-[Chlorp(p-tolylsulfinyl)methyl]cyclopentadecyl}acetonitrile
SpectraBase Compound ID Bjs4JHjFuKg
InChI InChI=1S/C25H38ClNOS/c1-22-14-16-23(17-15-22)29(28)24(26)25(20-21-27)18-12-10-8-6-4-2-3-5-7-9-11-13-19-25/h14-17,24H,2-13,18-20H2,1H3
InChIKey FJZDDWPRZJYKDD-UHFFFAOYSA-N
Mol Weight 436.1 g/mol
Molecular Formula C25H38ClNOS
Exact Mass 435.236264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Gopa4kFFeC
Name {1-[Chlorp(p-tolylsulfinyl)methyl]cyclopentadecyl}acetonitrile
Alternate Name(s) 2-[1-[chloro-(4-methylphenyl)sulfinylmethyl]cyclopentadecyl]acetonitrile 2-[1-[chloranyl-(4-methylphenyl)sulfinyl-methyl]cyclopentadecyl]ethanenitrile
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Formula C25H38ClNOS
InChI InChI=1S/C25H38ClNOS/c1-22-14-16-23(17-15-22)29(28)24(26)25(20-21-27)18-12-10-8-6-4-2-3-5-7-9-11-13-19-25/h14-17,24H,2-13,18-20H2,1H3
InChIKey FJZDDWPRZJYKDD-UHFFFAOYSA-N
Molecular Weight 436.098 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(CC#N)CCCCCCCCCCCCCC1)Cl
SPLASH splash10-0006-0910000000-fc7fe0522c40200cae13
Source of Spectrum KC-61-1251-5
Wiley ID 1627456