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10,12,15,17-tetraphenyl-11,16-dithiapentacyclo[6.5.5.0(2,7).0(9,13).0(14,18)]octadeca-2,4,6,9,12,14,17-heptaene
SpectraBase Compound ID 82aDcoxKyS4
InChI InChI=1S/C40H26S2/c1-5-15-25(16-6-1)37-33-31-29-23-13-14-24-30(29)32(34(33)38(41-37)26-17-7-2-8-18-26)36-35(31)39(27-19-9-3-10-20-27)42-40(36)28-21-11-4-12-22-28/h1-24,31-32H/t31-,32+
InChIKey LUSBIUYTNLWLMR-MEKGRNQZSA-N
Mol Weight 570.8 g/mol
Molecular Formula C40H26S2
Exact Mass 570.147593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMPoDBN1L1s
Name 10,12,15,17-tetraphenyl-11,16-dithiapentacyclo[6.5.5.0(2,7).0(9,13).0(14,18)]octadeca-2,4,6,9,12,14,17-heptaene
Alternate Name(s) 3,5,9,1211-Tetraphenyldithiopheno[b,e]benzo[h]bicyclo[2.2.2]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H26S2
InChI InChI=1S/C40H26S2/c1-5-15-25(16-6-1)37-33-31-29-23-13-14-24-30(29)32(34(33)38(41-37)26-17-7-2-8-18-26)36-35(31)39(27-19-9-3-10-20-27)42-40(36)28-21-11-4-12-22-28/h1-24,31-32H/t31-,32+
InChIKey LUSBIUYTNLWLMR-MEKGRNQZSA-N
Molecular Weight 570.768 g/mol
SMILES c12c(c(-c3ccccc3)sc1-c1ccccc1)[C@]1(c3c([C@@]2(c2c1cccc2)[H])c(sc3-c1ccccc1)-c1ccccc1)[H]
SPLASH splash10-00di-0200290000-ebf857d9012446dfad55
Source of Spectrum J-59-4310-9
Wiley ID 1407764