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6,21-Dithiatricyclo[24.4.1.111,16]dotriaconta-2,4,7,9,11,13,15,17,19,22,24,26,28,30-tetradecaene, (all-E)-
SpectraBase Compound ID DJrfLPSLhVN
InChI InChI=1S/C30H28S2/c1-2-14-28-18-6-10-22-32-24-12-8-20-30-16-4-3-15-29(26-30)19-7-11-23-31-21-9-5-17-27(13-1)25-28/h1-24H,25-26H2/b17-5-,18-6-,19-7-,20-8-,21-9-,22-10-,23-11-,24-12-
InChIKey VCKOQZLJRHVFJC-BFEYKLOHSA-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 9uKKMvxEqk
Name 6,21-Dithiatricyclo[24.4.1.111,16]dotriaconta-2,4,7,9,11,13,15,17,19,22,24,26,28,30-tetradecaene, (all-E)-
CAS Registry Number 128654-24-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28S2
InChI InChI=1S/C30H28S2/c1-2-14-28-18-6-10-22-32-24-12-8-20-30-16-4-3-15-29(26-30)19-7-11-23-31-21-9-5-17-27(13-1)25-28/h1-24H,25-26H2/b17-5-,18-6-,19-7-,20-8-,21-9-,22-10-,23-11-,24-12-
InChIKey VCKOQZLJRHVFJC-BFEYKLOHSA-N
Molecular Weight 452.674 g/mol
SMILES C1=2\C=C/C=C\S\C=C/C=C\C=3CC(\C=C/C=C\S\C=C/C=C\C(=CC=CC2)C1)=CC=CC3
SPLASH splash10-0gb9-0900500000-9a059bf205249f3cd0d8
Source of Spectrum KC-1990-342-16
Synonyms 6,11:21,26-dimethano-1,16-dithia[30]annulene 6,21-dithiatricyclo[24.4.1.1(11,16)]dotriaconta-1(30),2,4,7,9,11,13,15,17,19,22,24,26,28-tetradecaene
Wiley ID 1388393