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2,3,9,14-Tetrathiatricyclo-[13.3.1.1(4,8)]icosa-1(19) ,4(20),5,7,15,17-hexaen-11-yne
SpectraBase Compound ID 7BBvYkaxMeI
InChI InChI=1S/C16H12S4/c1-2-10-18-14-6-4-8-16(12-14)20-19-15-7-3-5-13(11-15)17-9-1/h3-8,11-12H,9-10H2
InChIKey ZPNWZCGMUKQYHS-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C16H12S4
Exact Mass 331.982185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9Uj6xNoPUG
Name 2,3,9,14-Tetrathiatricyclo-[13.3.1.1(4,8)]icosa-1(19) ,4(20),5,7,15,17-hexaen-11-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12S4
InChI InChI=1S/C16H12S4/c1-2-10-18-14-6-4-8-16(12-14)20-19-15-7-3-5-13(11-15)17-9-1/h3-8,11-12H,9-10H2
InChIKey ZPNWZCGMUKQYHS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19941270830
Molecular Weight 332.512 g/mol
SMILES c12SSc3cc(SCC#CCSc(c2)ccc1)ccc3
SPLASH splash10-001l-1906000000-59e9bcdda4e0911b1d73
Source of Spectrum K-127-1535-10
Wiley ID 1792379