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Octane, 1-(t-butylthio)-2-(chloroacetoxy)-
SpectraBase Compound ID XoKEpSRubb
InChI InChI=1S/C14H27ClO2S/c1-5-6-7-8-9-12(17-13(16)10-15)11-18-14(2,3)4/h12H,5-11H2,1-4H3
InChIKey RFUNQWDIAAVNHB-UHFFFAOYSA-N
Mol Weight 294.88 g/mol
Molecular Formula C14H27ClO2S
Exact Mass 294.142029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2nFCsceNW4
Name Octane, 1-(t-butylthio)-2-(chloroacetoxy)-
Alternate Name(s) 1-(tert-butylsulfanylmethyl)heptyl 2-chloroacetate 1-tert-Butylsulfanyloctan-2-yl 2-chloranylethanoate 1-tert-Butylsulfanyloctan-2-yl 2-chloroacetate 1-[(tert-Butylsulfanyl)methyl]heptyl chloroacetate 2-Chloroacetic acid 1-(tert-butylthio)octan-2-yl ester 2-Chloroacetic acid 1-[(tert-butylthio)methyl]heptyl ester
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Formula C14H27ClO2S
InChI InChI=1S/C14H27ClO2S/c1-5-6-7-8-9-12(17-13(16)10-15)11-18-14(2,3)4/h12H,5-11H2,1-4H3
InChIKey RFUNQWDIAAVNHB-UHFFFAOYSA-N
Molecular Weight 294.881 g/mol
SMILES CC(SCC(CCCCCC)OC(=O)CCl)(C)C
SPLASH splash10-0a4l-9300000000-62752406f23dbd696a8b
Wiley ID 1493489