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2-(4-Methylphenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one

View entire compound with spectra: 1 MS (GC)

2-(4-Methylphenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID dF6Kvv7Vpp
InChI InChI=1S/C24H22N6O3/c1-16-8-12-19(13-9-16)28-21(23(31)33-27-28)22-25-29(18-6-4-3-5-7-18)24(32)30(26-22)20-14-10-17(2)11-15-20/h3-15,22,25-26H,1-2H3
InChIKey KKEAPMFVGMNSKJ-UHFFFAOYSA-N
Mol Weight 442.48 g/mol
Molecular Formula C24H22N6O3
Exact Mass 442.175339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfH6B9CHBgX
Name 2-(4-Methylphenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Alternate Name(s) 4-(6-oxo-1-phenyl-5-(p-tolyl)-1,2,4,5-tetrazinan-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N6O3
InChI InChI=1S/C24H22N6O3/c1-16-8-12-19(13-9-16)28-21(23(31)33-27-28)22-25-29(18-6-4-3-5-7-18)24(32)30(26-22)20-14-10-17(2)11-15-20/h3-15,22,25-26H,1-2H3
InChIKey KKEAPMFVGMNSKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 442.479 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)C)c1ccccc1)=O)c1ccc(cc1)C
SPLASH splash10-0006-9610200000-a878a7d9ebaeb36a535b
Source of Spectrum QA-48-779-7i
Wiley ID 1795371