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6H,12H,18H-Tribenzo[b,f,j][1,5,9]trithiacyclododecin-6,12,18-trione
SpectraBase Compound ID DMxGs3oRt7X
InChI InChI=1S/C21H12O3S3/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H
InChIKey DNTIQEOSRMIZMD-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C21H12O3S3
Exact Mass 407.994858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AziQUAte2Ii
Name 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trithiacyclododecin-6,12,18-trione
CAS Registry Number 39264-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12O3S3
InChI InChI=1S/C21H12O3S3/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H
InChIKey DNTIQEOSRMIZMD-UHFFFAOYSA-N
Molecular Weight 408.504 g/mol
SMILES C1(Sc2c(C(Sc3c(C(Sc4c1cccc4)=O)cccc3)=O)cccc2)=O
SPLASH splash10-000f-5910000000-bc47e9b2b07856406cff
Source of Spectrum J-52-3844-12
Synonyms Trithiosalicylide
Wiley ID 1372848