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[(1,3-Diphenyl-1H-1,2,4-triazol-5-yl)imino](2-methoxyphenyl)(methyl)-.lambda.6-sulfanone
SpectraBase Compound ID 7SdkkNasszf
InChI InChI=1S/C22H20N4O2S/c1-28-19-15-9-10-16-20(19)29(2,27)25-22-23-21(17-11-5-3-6-12-17)24-26(22)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKey UNOHLNFBXNTVCO-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTFi5hVxyux
Name [(1,3-Diphenyl-1H-1,2,4-triazol-5-yl)imino](2-methoxyphenyl)(methyl)-.lambda.6-sulfanone
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O2S
InChI InChI=1S/C22H20N4O2S/c1-28-19-15-9-10-16-20(19)29(2,27)25-22-23-21(17-11-5-3-6-12-17)24-26(22)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKey UNOHLNFBXNTVCO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 404.488 g/mol
Reported Formula C22H20O2N4S
SMILES CS(c1c(cccc1)OC)(=Nc1[n](-c2ccccc2)nc(-c2ccccc2)n1)=O
SPLASH splash10-0a4r-4309600000-4ebc131a9818659642c5
Source of Spectrum U1-2020-SM3-7c
Wiley ID 1860521