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2,5-O-Phenylene-8,11-dithia-3,4-benzo(4.3.3)propellane
SpectraBase Compound ID H14VdGdyT7B
InChI InChI=1S/C20H18S2/c1-2-6-14-13(5-1)17-15-7-3-4-8-16(15)18(14)20-11-21-9-19(17,20)10-22-12-20/h1-8,17-18H,9-12H2/t17-,18+,19-,20+
InChIKey FQIFCKAUIWTCOO-FGYAAKKASA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Yyt1VKeXXg
Name (9',10'-Dihydro-9',10'-anthracenylene)-3a,6a-(4',5'-dihydro-1H,3H-thieno[3,4-c]thiophene)
Alternate Name(s) 17,21-dithiahexacyclo[6.6.5.3(15,19).0(2,7).0(9,14).0(15,19)]docosa-2,4,6,9,11,13-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-2-6-14-13(5-1)17-15-7-3-4-8-16(15)18(14)20-11-21-9-19(17,20)10-22-12-20/h1-8,17-18H,9-12H2/t17-,18+,19-,20+
InChIKey FQIFCKAUIWTCOO-FGYAAKKASA-N
Molecular Weight 322.484 g/mol
SMILES [C@]123[C@@]([C@@]4(c5c([C@]3(c3c4cccc3)[H])cccc5)[H])(CSC2)CSC1
SPLASH splash10-004i-0900000000-e2e68ac49a03338fd715
Source of Spectrum Y-29-1868-7
Wiley ID 1321942