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3,3',3''-(Ethane-1,1,1-triyltris(2-(3-mercaptopropoxy)benzene-5,1-diyl))tris(propane-1- thiol)
SpectraBase Compound ID AoGFC4Z5qOr
InChI InChI=1S/C38H54O3S6/c1-38(32-11-14-35(39-17-5-23-45)29(26-32)8-2-20-42,33-12-15-36(40-18-6-24-46)30(27-33)9-3-21-43)34-13-16-37(41-19-7-25-47)31(28-34)10-4-22-44/h11-16,26-28,42-47H,2-10,17-25H2,1H3
InChIKey XNJSJYLIRPSDIC-UHFFFAOYSA-N
Mol Weight 751.2 g/mol
Molecular Formula C38H54O3S6
Exact Mass 750.239723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqZNEkzmIDL
Name 3,3',3''-(Ethane-1,1,1-triyltris(2-(3-mercaptopropoxy)benzene-5,1-diyl))tris(propane-1- thiol)
Appearance Pale yellow oil
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Formula C38H54O3S6
InChI InChI=1S/C38H54O3S6/c1-38(32-11-14-35(39-17-5-23-45)29(26-32)8-2-20-42,33-12-15-36(40-18-6-24-46)30(27-33)9-3-21-43)34-13-16-37(41-19-7-25-47)31(28-34)10-4-22-44/h11-16,26-28,42-47H,2-10,17-25H2,1H3
InChIKey XNJSJYLIRPSDIC-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.180
Molecular Weight 751.207 g/mol
SMILES SCCCOc1c(cc(C(c2cc(CCCS)c(cc2)OCCCS)(c2cc(c(cc2)OCCCS)CCCS)C)cc1)CCCS
SPLASH splash10-000i-2200002900-a763ff3cba8181f5458b
Source of Spectrum BJO-10-SM19-14c
Wiley ID 1853944