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5,16-Dihydrotetrathia[22]annulene[2,1,2,1]
SpectraBase Compound ID EjLMt6xGHx
InChI InChI=1S/C22H16S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-12H,13-14H2/b2-1-,4-3-
InChIKey RQURZMAKRQSVJI-LOKDLIDFSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H16S4
Exact Mass 408.013485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wECWPucnFW
Name 5,16-Dihydrotetrathia[22]annulene[2,1,2,1]
Comments Less than 3 mono-isotopic peaks
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Formula C22H16S4
InChI InChI=1S/C22H16S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-12H,13-14H2/b2-1-,4-3-
InChIKey RQURZMAKRQSVJI-LOKDLIDFSA-N
Molecular Weight 408.610 g/mol
SMILES c12sc(cc2)\C=C/c2sc(Cc3sc(\C=C/c4sc(C1)cc4)cc3)cc2
SPLASH splash10-0a4i-0000900000-5a57c3aef1c08937b908
Source of Spectrum J-59-8075-13
Synonyms 23,24,25,26-tetrathiapentacyclo[18.2.1.1(3,6).1(9,12).1(14,17)]hexacosa-1(22),3,5,7,9,11,14,16,18,20-decaene Tetrathia[22]annulene[2,1,2,1]
Wiley ID 1372910