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3,3'-(Propane-2,2-diylbis(2-(3-mercaptopropoxy)-5,1-phenylene))bis(propane-1-thiol)
SpectraBase Compound ID 8wrfauoIWOl
InChI InChI=1S/C27H40O2S4/c1-27(2,23-9-11-25(28-13-5-17-32)21(19-23)7-3-15-30)24-10-12-26(29-14-6-18-33)22(20-24)8-4-16-31/h9-12,19-20,30-33H,3-8,13-18H2,1-2H3
InChIKey MKOBHHFIRFKHSS-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C27H40O2S4
Exact Mass 524.191115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VlPZn5mUB4
Name 3,3'-(Propane-2,2-diylbis(2-(3-mercaptopropoxy)-5,1-phenylene))bis(propane-1-thiol)
Appearance Pale yellow oil
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Formula C27H40O2S4
InChI InChI=1S/C27H40O2S4/c1-27(2,23-9-11-25(28-13-5-17-32)21(19-23)7-3-15-30)24-10-12-26(29-14-6-18-33)22(20-24)8-4-16-31/h9-12,19-20,30-33H,3-8,13-18H2,1-2H3
InChIKey MKOBHHFIRFKHSS-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.180
Molecular Weight 524.855 g/mol
SMILES SCCCOc1c(cc(C(c2cc(CCCS)c(cc2)OCCCS)(C)C)cc1)CCCS
SPLASH splash10-0bti-2834590000-b76cff4af66c5e3e05e8
Source of Spectrum BJO-10-SM18-14a
Wiley ID 1853942