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8,20-Dithiapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-3,5,10,12,15,17,22,24,25,27,29,31-dodecaen-2-ol
SpectraBase Compound ID DAtrDM9WxaR
InChI InChI=1S/C30H28OS2/c31-30-28-13-9-26(10-14-28)20-32-18-24-5-1-22(2-6-24)17-23-3-7-25(8-4-23)19-33-21-27-11-15-29(30)16-12-27/h1-16,30-31H,17-21H2
InChIKey DNYPKPDHVCFTHF-UHFFFAOYSA-N
Mol Weight 468.67 g/mol
Molecular Formula C30H28OS2
Exact Mass 468.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPHWGyqwCYk
Name 8,20-Dithiapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-3,5,10,12,15,17,22,24,25,27,29,31-dodecaen-2-ol
CAS Registry Number 114067-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28OS2
InChI InChI=1S/C30H28OS2/c31-30-28-13-9-26(10-14-28)20-32-18-24-5-1-22(2-6-24)17-23-3-7-25(8-4-23)19-33-21-27-11-15-29(30)16-12-27/h1-16,30-31H,17-21H2
InChIKey DNYPKPDHVCFTHF-UHFFFAOYSA-N
Molecular Weight 468.673 g/mol
SMILES OC1c2ccc(cc2)CSCc2ccc(cc2)Cc2ccc(CSCc3ccc1cc3)cc2
SPLASH splash10-0udi-0410900000-8fa88c8d7693b949ad3b
Source of Spectrum F-43-3210-3
Synonyms 2,18-Dithia[3.1.3.1]paracyclophane-10-ol 8,20-dithiapentacyclo[20.2.2.2(3,6).2(10,13).2(15,18)]dotriaconta-1(24),3,5,10,12,15,17,22,25,27,29,31-dodecaen-2-ol
Wiley ID 1392486