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6-(1'-Pyrene)-hexanethiol-Disulfide
SpectraBase Compound ID 1pN6aykltsI
InChI InChI=1S/C44H42S2/c1(5-11-31-17-19-37-23-21-33-13-9-15-35-25-27-39(31)43(37)41(33)35)3-7-29-45-46-30-8-4-2-6-12-32-18-20-38-24-22-34-14-10-16-36-26-28-40(32)44(38)42(34)36/h9-10,13-28H,1-8,11-12,29-30H2
InChIKey FGMMJKJEGGRKMV-UHFFFAOYSA-N
Mol Weight 634.9 g/mol
Molecular Formula C44H42S2
Exact Mass 634.272794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4ooNlhIcTQ
Name 6-(1'-Pyrene)-hexanethiol-Disulfide
Alternate Name(s) bis[6'-(Pyren-3'-yl)hexyl]-Disulfide
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Formula C44H42S2
InChI InChI=1S/C44H42S2/c1(5-11-31-17-19-37-23-21-33-13-9-15-35-25-27-39(31)43(37)41(33)35)3-7-29-45-46-30-8-4-2-6-12-32-18-20-38-24-22-34-14-10-16-36-26-28-40(32)44(38)42(34)36/h9-10,13-28H,1-8,11-12,29-30H2
InChIKey FGMMJKJEGGRKMV-UHFFFAOYSA-N
Molecular Weight 634.940 g/mol
SMILES c12c3ccc4c2c(ccc4)ccc1ccc3CCCCCCSSCCCCCCc1c2c3c4c(cccc4cc2)ccc3cc1
SPLASH splash10-0gd0-0052009000-c6f7018f0ff848f30f50
Source of Spectrum C-124-5023-6
Wiley ID 1701020