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9,10,11,12-Tetraphenyl-3,6-dithiabicyclo[6.4.0]dodeca-8,10,12-triene
SpectraBase Compound ID CF0WGvA3Zb2
InChI InChI=1S/C34H28S2/c1-5-13-25(14-6-1)31-29-23-35-21-22-36-24-30(29)32(26-15-7-2-8-16-26)34(28-19-11-4-12-20-28)33(31)27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKey KHCACLGMWQSSDU-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C34H28S2
Exact Mass 500.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C55uxPbLexR
Name 9,10,11,12-Tetraphenyl-3,6-dithiabicyclo[6.4.0]dodeca-8,10,12-triene
Comments Less than 3 mono-isotopic peaks
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Formula C34H28S2
InChI InChI=1S/C34H28S2/c1-5-13-25(14-6-1)31-29-23-35-21-22-36-24-30(29)32(26-15-7-2-8-16-26)34(28-19-11-4-12-20-28)33(31)27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKey KHCACLGMWQSSDU-UHFFFAOYSA-N
Molecular Weight 500.718 g/mol
SMILES c1(c(c(-c2ccccc2)c(c2c1CSCCSC2)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-000i-0000920000-ad171a683e0c9d8cfeb7
Source of Spectrum K-127-2040-30
Synonyms 7,8,9,10-tetraphenyl-1,3,4,6-tetrahydro-2,5-benzodithiocin
Wiley ID 1399005