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(syn,anti) and (syn,syn)-2,12-Dithia[3.3](4,6) indanophane
SpectraBase Compound ID 67XJwe7qw6C
InChI InChI=1S/C22H24S2/c1-3-17-7-15-9-19(21(17)5-1)13-24-14-20-10-16(12-23-11-15)8-18-4-2-6-22(18)20/h7-10H,1-6,11-14H2
InChIKey QLKDJHVHWXZXKM-UHFFFAOYSA-N
Mol Weight 352.55 g/mol
Molecular Formula C22H24S2
Exact Mass 352.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4G7xqbGLes1
Name (syn,anti) and (syn,syn)-2,12-Dithia[3.3](4,6) indanophane
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Formula C22H24S2
InChI InChI=1S/C22H24S2/c1-3-17-7-15-9-19(21(17)5-1)13-24-14-20-10-16(12-23-11-15)8-18-4-2-6-22(18)20/h7-10H,1-6,11-14H2
InChIKey QLKDJHVHWXZXKM-UHFFFAOYSA-N
Molecular Weight 352.554 g/mol
SMILES c12c3c(CCC3)cc(c1)CSCc1cc3c(c(CSC2)c1)CCC3
SPLASH splash10-002f-0901000000-54b73ea9f980dbe2e6b8
Source of Spectrum K-126-173-25
Synonyms 3,13-dithiapentacyclo[14.6.1.1(5,12).0(6,10).0(18,22)]tetracosa-1(22),5,10,12(24),16(23),17-hexaene
Wiley ID 1343580