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2,5,12,15-Tetrathiatricyclo[14.4.1.16,11]docosa-3,6,8,10,13,16,18,20-octaene
SpectraBase Compound ID DofDiNRVWZf
InChI InChI=1S/C18H16S4/c1-2-6-16-13-15(5-1)19-9-10-21-17-7-3-4-8-18(14-17)22-12-11-20-16/h1-12H,13-14H2/b10-9-,12-11-
InChIKey XRNAJMHYAYDQNU-BASFJDSNSA-N
Mol Weight 360.6 g/mol
Molecular Formula C18H16S4
Exact Mass 360.013485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df25BDSyO9B
Name 2,5,12,15-Tetrathiatricyclo[14.4.1.16,11]docosa-3,6,8,10,13,16,18,20-octaene
Alternate Name(s) 2,5,12,15-tetrathiatricyclo[14.4.1.1(6,11)]docosa-1(20),3,6,8,10,13,16,18-octaene
CAS Registry Number 85616-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16S4
InChI InChI=1S/C18H16S4/c1-2-6-16-13-15(5-1)19-9-10-21-17-7-3-4-8-18(14-17)22-12-11-20-16/h1-12H,13-14H2/b10-9-,12-11-
InChIKey XRNAJMHYAYDQNU-BASFJDSNSA-N
Molecular Weight 360.566 g/mol
SMILES C=12S\C=C/SC=3CC(S\C=C/SC(C2)=CC=CC1)=CC=CC3
SPLASH splash10-01p2-4903000000-b29b68b3555920a874b3
Source of Spectrum J-50-184-14
Wiley ID 1348186