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1,2,12,13-Tetrahydrobisbenzo[5,6]phenanthro[3,4-b:4',3'-d]thiophene
SpectraBase Compound ID D1VJ4jBLphy
InChI InChI=1S/C36H24S/c1-3-7-27-21(5-1)9-11-23-13-15-25-17-19-29-35(33(25)31(23)27)36-30(37-29)20-18-26-16-14-24-12-10-22-6-2-4-8-28(22)32(24)34(26)36/h1-8,13-20H,9-12H2
InChIKey UXECLMQEMRFSAR-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C36H24S
Exact Mass 488.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhGOtfjAF1
Name 1,2,12,13-Tetrahydrobisbenzo[5,6]phenanthro[3,4-b:4',3'-d]thiophene
Appearance Amorphous solid
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Formula C36H24S
InChI InChI=1S/C36H24S/c1-3-7-27-21(5-1)9-11-23-13-15-25-17-19-29-35(33(25)31(23)27)36-30(37-29)20-18-26-16-14-24-12-10-22-6-2-4-8-28(22)32(24)34(26)36/h1-8,13-20H,9-12H2
InChIKey UXECLMQEMRFSAR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100225
Molecular Weight 488.648 g/mol
Reported Formula C36H24S
SMILES c1c2c(c-3c(c1)CCc1c3cccc1)c1c(cc2)sc2c1c1c(cc2)ccc2c1-c1c(CC2)cccc1
SPLASH splash10-0aba-9200000000-428a16d66a651742b5c6
Source of Spectrum H-105-SM33-33-1
Wiley ID 1873507