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2,4-Dimethyl-7-(trifluoromethyl)-1.lambda.(4),5.lambda.(4)-dithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),5,7-trien-3-one

View entire compound with spectra: 1 MS (GC)

2,4-Dimethyl-7-(trifluoromethyl)-1.lambda.(4),5.lambda.(4)-dithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),5,7-trien-3-one
SpectraBase Compound ID 40cqOfg0qGC
InChI InChI=1S/C5H6F3N5OS2/c1-12-4(14)13(2)16-10-3(5(6,7)8)9-15(12)11-16/h1-2H3
InChIKey HGVMPFTUOUPCFQ-UHFFFAOYSA-N
Mol Weight 273.25 g/mol
Molecular Formula C5H6F3N5OS2
Exact Mass 272.996587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYe1M3x0Bdu
Name 2,4-Dimethyl-7-(trifluoromethyl)-1.lambda.(4),5.lambda.(4)-dithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),5,7-trien-3-one
CAS Registry Number 116103-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6F3N5OS2
InChI InChI=1S/C5H6F3N5OS2/c1-12-4(14)13(2)16-10-3(5(6,7)8)9-15(12)11-16/h1-2H3
InChIKey HGVMPFTUOUPCFQ-UHFFFAOYSA-N
Molecular Weight 273.252 g/mol
SMILES c1(ns2ns(n1)N(C(N2C)=O)C)C(F)(F)F
SPLASH splash10-03di-9030000000-1b93553a9e5a8fc87ea9
Source of Spectrum K-121-1889-7
Synonyms 2,4-Dimethyl-7-(trifluoromethyl)-1lambda(4),5lambda(4)-dithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),5,7-trien-3-one
Wiley ID 1276913