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1,4-Benzenediol, 2,5-bis(1-methylheptadecyl)-
SpectraBase Compound ID 6n9tJ6n4v3N
InChI InChI=1S/C42H78O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(3)39-35-42(44)40(36-41(39)43)38(4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-38,43-44H,5-34H2,1-4H3
InChIKey WXEHRWBKKAMIEJ-UHFFFAOYSA-N
Mol Weight 615.1 g/mol
Molecular Formula C42H78O2
Exact Mass 614.600182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au8PwDOMGhW
Name 1,4-Benzenediol, 2,5-bis(1-methylheptadecyl)-
Alternate Name(s) 2,5-Di(octadecan-2-yl)benzene-1,4-diol 2,5-Bis(1-methylheptadecyl)benzene-1,4-diol
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Formula C42H78O2
InChI InChI=1S/C42H78O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(3)39-35-42(44)40(36-41(39)43)38(4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-38,43-44H,5-34H2,1-4H3
InChIKey WXEHRWBKKAMIEJ-UHFFFAOYSA-N
Molecular Weight 615.084 g/mol
SMILES Oc1c(cc(c(c1)C(CCCCCCCCCCCCCCCC)C)O)C(C)CCCCCCCCCCCCCCCC
SPLASH splash10-03xr-6400009000-b873574c2bbcc116562e
Source of Spectrum JX-2015-4-1323
Wiley ID 1726712