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Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene, 3,10-bis(phenylthio)-, stereoisomer
SpectraBase Compound ID 1H41Xc5C0H3
InChI InChI=1S/C30H28S2/c1-3-7-27(8-4-1)31-29-19-23-11-15-25(16-12-23)21-30(32-28-9-5-2-6-10-28)22-26-17-13-24(20-29)14-18-26/h1-18,29-30H,19-22H2
InChIKey MQQABOBDZNTAIX-UHFFFAOYSA-N
Mol Weight 452.67 g/mol
Molecular Formula C30H28S2
Exact Mass 452.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJmQgOUHTij
Name Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene, 3,10-bis(phenylthio)-, stereoisomer
CAS Registry Number 69610-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28S2
InChI InChI=1S/C30H28S2/c1-3-7-27(8-4-1)31-29-19-23-11-15-25(16-12-23)21-30(32-28-9-5-2-6-10-28)22-26-17-13-24(20-29)14-18-26/h1-18,29-30H,19-22H2
InChIKey MQQABOBDZNTAIX-UHFFFAOYSA-N
Molecular Weight 452.674 g/mol
SMILES C1(Sc2ccccc2)Cc2ccc(CC(Cc3ccc(C1)cc3)Sc1ccccc1)cc2
SPLASH splash10-0f79-0922400000-7927d7f9b9bedc93516b
Source of Spectrum K-112-257-4
Synonyms 3,10-bis(phenylsulfanyl)tricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene cis-2,11-bis(phenylthio)[3.3]paracyclophane
Wiley ID 1388389