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2-(4-Methylphenyl)-6-[3-(4-methoxyphenyl)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-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID HJPQgKgJzJK
InChI InChI=1S/C24H22N6O4/c1-16-8-10-19(11-9-16)30-24(32)29(17-6-4-3-5-7-17)25-22(26-30)21-23(31)34-27-28(21)18-12-14-20(33-2)15-13-18/h3-15,22,25-26H,1-2H3
InChIKey YWFFOKAUBWMBLS-UHFFFAOYSA-N
Mol Weight 458.48 g/mol
Molecular Formula C24H22N6O4
Exact Mass 458.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yoJiRhoQaH
Name 2-(4-Methylphenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Alternate Name(s) 3-(4-Methoxyphenyl)-4-(6-oxo-1-phenyl-5-(p-tolyl)-1,2,4,5-tetrazinan-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N6O4
InChI InChI=1S/C24H22N6O4/c1-16-8-10-19(11-9-16)30-24(32)29(17-6-4-3-5-7-17)25-22(26-30)21-23(31)34-27-28(21)18-12-14-20(33-2)15-13-18/h3-15,22,25-26H,1-2H3
InChIKey YWFFOKAUBWMBLS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 458.478 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)OC)c1ccc(cc1)C)=O)c1ccccc1
SPLASH splash10-055f-8910100000-ec956ca72861cd5fb7b9
Source of Spectrum QA-48-778-7g
Wiley ID 1795369