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3,3',3'',3'''-(((Propane-2,2-diylbis(2-ethoxybenzene-5,3,1-triyl))tetrakis(methylene))-tetrakis(oxy)) tetrakis(propane-1-thiol)
SpectraBase Compound ID 7vzAafaxIr3
InChI InChI=1S/C35H56O6S4/c1-5-40-33-27(23-36-11-7-15-42)19-31(20-28(33)24-37-12-8-16-43)35(3,4)32-21-29(25-38-13-9-17-44)34(41-6-2)30(22-32)26-39-14-10-18-45/h19-22,42-45H,5-18,23-26H2,1-4H3
InChIKey JBPLBGOSMPUNSH-UHFFFAOYSA-N
Mol Weight 701.1 g/mol
Molecular Formula C35H56O6S4
Exact Mass 700.295974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MCzSZoC2yw
Name 3,3',3'',3'''-(((Propane-2,2-diylbis(2-ethoxybenzene-5,3,1-triyl))tetrakis(methylene))-tetrakis(oxy)) tetrakis(propane-1-thiol)
Appearance Pale yellow oil
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Formula C35H56O6S4
InChI InChI=1S/C35H56O6S4/c1-5-40-33-27(23-36-11-7-15-42)19-31(20-28(33)24-37-12-8-16-43)35(3,4)32-21-29(25-38-13-9-17-44)34(41-6-2)30(22-32)26-39-14-10-18-45/h19-22,42-45H,5-18,23-26H2,1-4H3
InChIKey JBPLBGOSMPUNSH-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.180
Molecular Weight 701.067 g/mol
SMILES SCCCOCc1c(c(cc(C(c2cc(COCCCS)c(c(c2)COCCCS)OCC)(C)C)c1)COCCCS)OCC
SPLASH splash10-0550-2309100000-0d9ced71f09596b77c0a
Source of Spectrum BJO-10-SM16-10a
Wiley ID 1853935