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1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(octadecylthio)-
SpectraBase Compound ID KrmhZ5XmjLr
InChI InChI=1S/C28H50O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-27-23-25(29)24(22-26(27)30)28(2,3)4/h22-23,29-30H,5-21H2,1-4H3
InChIKey KQGOPVRMKLRGBR-UHFFFAOYSA-N
Mol Weight 450.8 g/mol
Molecular Formula C28H50O2S
Exact Mass 450.353152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MBLZePGuO
Name 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(octadecylthio)-
Alternate Name(s) 2-(tert-butyl)-5-(octadecylthio)benzene-1,4-diol 2-Tert-butyl-5-(octadecylsulfanyl)benzene-1,4-diol 2-Tert-butyl-5-(octadecylthio)benzene-1,4-diol 2-Tert-butyl-5-octadecylsulfanylbenzene-1,4-diol 2-Tert-butyl-5-octadecylsulfanyl-benzene-1,4-diol
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Formula C28H50O2S
InChI InChI=1S/C28H50O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-27-23-25(29)24(22-26(27)30)28(2,3)4/h22-23,29-30H,5-21H2,1-4H3
InChIKey KQGOPVRMKLRGBR-UHFFFAOYSA-N
Molecular Weight 450.766 g/mol
SMILES Oc1cc(c(cc1C(C)(C)C)O)SCCCCCCCCCCCCCCCCCC
SPLASH splash10-0udi-2100900000-028e4188cf216100e918
Source of Spectrum JX-2015-4-618
Wiley ID 1726042