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[(1,3-Diphenyl-1H-1,2,4-triazol-5-yl)imino](isopropyl)(phenyl)-.lambda.6-sulfanone
SpectraBase Compound ID 3o0nG64GUGR
InChI InChI=1S/C23H22N4OS/c1-18(2)29(28,21-16-10-5-11-17-21)26-23-24-22(19-12-6-3-7-13-19)25-27(23)20-14-8-4-9-15-20/h3-18H,1-2H3
InChIKey VGZUYLVINICCTB-UHFFFAOYSA-N
Mol Weight 402.52 g/mol
Molecular Formula C23H22N4OS
Exact Mass 402.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTUchXmAGRp
Name [(1,3-Diphenyl-1H-1,2,4-triazol-5-yl)imino](isopropyl)(phenyl)-.lambda.6-sulfanone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N4OS
InChI InChI=1S/C23H22N4OS/c1-18(2)29(28,21-16-10-5-11-17-21)26-23-24-22(19-12-6-3-7-13-19)25-27(23)20-14-8-4-9-15-20/h3-18H,1-2H3
InChIKey VGZUYLVINICCTB-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 402.516 g/mol
Reported Formula C23H22ON4S
SMILES C(S(c1ccccc1)(=Nc1[n](-c2ccccc2)nc(-c2ccccc2)n1)=O)(C)C
SPLASH splash10-0f89-2090500000-05685dc881efc7b0e6ad
Source of Spectrum U1-2020-SM5-7j
Wiley ID 1860527