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4-Methyl-2,6,7-triphenyl-8-thioxo-2,6,7-triazabicyclo[2.2.2]octane-3,5,8-trione
SpectraBase Compound ID 8sfNAnqtAvy
InChI InChI=1S/C24H19N3O2S/c1-24-20(28)25(17-11-5-2-6-12-17)23(26(21(24)29)18-13-7-3-8-14-18)27(22(24)30)19-15-9-4-10-16-19/h2-16,23H,1H3/t23-,24+
InChIKey UYMSEUDXLLZXJW-PSWAGMNNSA-N
Mol Weight 413.5 g/mol
Molecular Formula C24H19N3O2S
Exact Mass 413.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JOLtfDWLvN
Name 4-Methyl-2,6,7-triphenyl-8-thioxo-2,6,7-triazabicyclo[2.2.2]octane-3,5,8-trione
CAS Registry Number 104910-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19N3O2S
InChI InChI=1S/C24H19N3O2S/c1-24-20(28)25(17-11-5-2-6-12-17)23(26(21(24)29)18-13-7-3-8-14-18)27(22(24)30)19-15-9-4-10-16-19/h2-16,23H,1H3/t23-,24+
InChIKey UYMSEUDXLLZXJW-PSWAGMNNSA-N
Molecular Weight 413.495 g/mol
SMILES [C@]12(N(C(=S)[C@@](C(N2c2ccccc2)=O)(C)C(N1c1ccccc1)=O)c1ccccc1)[H]
SPLASH splash10-0fb9-5490000000-8f4a06b5327295ce9d1b
Source of Spectrum K-120-116-3
Synonyms 4-Methyl-2,6,7-triphenyl-8-thioxo-2,6,7-triazabicyclo[2.2.2]octane-3,5-dione
Wiley ID 1375040