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4,5,6,6A9B,13B-HEXAHYDRO-3BH-BENZO[2',3']THIENO[3",2":4',5']PENTALENO[1',6':3,4]INDENO[1,2-b]THIOPHENE
SpectraBase Compound ID Aq2r2xzQ0Xn
InChI InChI=1S/C22H18S2/c1-2-5-13-12(4-1)18-20-14(8-10-23-20)16-6-3-7-17-15-9-11-24-21(15)19(13)22(16,17)18/h1-2,4-5,8-11,16-19H,3,6-7H2/t16-,17?,18+,19?,22?/m1/s1
InChIKey ZHGHJMSQOFLPKR-OUQWCPNASA-N
Mol Weight 346.51 g/mol
Molecular Formula C22H18S2
Exact Mass 346.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKh0G9Fim2y
Name 4,5,6,6A9B,13B-HEXAHYDRO-3BH-BENZO[2',3']THIENO[3",2":4',5']PENTALENO[1',6':3,4]INDENO[1,2-b]THIOPHENE
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Formula C22H18S2
InChI InChI=1S/C22H18S2/c1-2-5-13-12(4-1)18-20-14(8-10-23-20)16-6-3-7-17-15-9-11-24-21(15)19(13)22(16,17)18/h1-2,4-5,8-11,16-19H,3,6-7H2/t16-,17?,18+,19?,22?/m1/s1
InChIKey ZHGHJMSQOFLPKR-OUQWCPNASA-N
Instrument Name AUTOSPEC
Molecular Weight 346.0846
SMILES c1cc2C3c4sccc4C4C33[C@@](c5c(scc5)[C@@]3(c2cc1)[H])(CCC4)[H]
SPLASH splash10-0002-2479000000-86951ae8a92df909d998
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany