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5,11,16-Trithiatricyclo[6.6.3.13,13]octadeca-1,3(18),13-triene, stereoisomer
SpectraBase Compound ID LEDo7XsCtVB
InChI InChI=1S/C15H20S3/c1-3-16-9-13-5-14-7-15(6-13)11-18-8-12(1)2-4-17-10-14/h5-7,12H,1-4,8-11H2
InChIKey XPZMIWSBHNSBMB-UHFFFAOYSA-N
Mol Weight 296.51 g/mol
Molecular Formula C15H20S3
Exact Mass 296.072714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NyDnHMweH5
Name 5,11,16-Trithiatricyclo[6.6.3.13,13]octadeca-1,3(18),13-triene, stereoisomer
CAS Registry Number 119880-84-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20S3
InChI InChI=1S/C15H20S3/c1-3-16-9-13-5-14-7-15(6-13)11-18-8-12(1)2-4-17-10-14/h5-7,12H,1-4,8-11H2
InChIKey XPZMIWSBHNSBMB-UHFFFAOYSA-N
Molecular Weight 296.505 g/mol
SMILES C1SCC2CCSCc3cc1cc(CSCC2)c3
SPLASH splash10-014j-0920000000-204cf4edd84b85d6094b
Source of Spectrum C-111-3009-3
Synonyms 2,8,17-Trithia[3(5,12)][9]metacyclophane 5,11,16-trithiatricyclo[6.6.3.1(3,13)]octadeca-1,3(18),13-triene
Wiley ID 1298879