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2-(4-Chlorophenyl)-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-Chlorophenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID 7B0xyHUYcA
InChI InChI=1S/C23H19ClN6O4/c1-33-19-13-11-17(12-14-19)28-20(22(31)34-27-28)21-25-29(16-5-3-2-4-6-16)23(32)30(26-21)18-9-7-15(24)8-10-18/h2-14,21,25-26H,1H3
InChIKey PHEKQXJYGCBBGM-UHFFFAOYSA-N
Mol Weight 478.9 g/mol
Molecular Formula C23H19ClN6O4
Exact Mass 478.115631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EOu5gX6Pga
Name 2-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN6O4
InChI InChI=1S/C23H19ClN6O4/c1-33-19-13-11-17(12-14-19)28-20(22(31)34-27-28)21-25-29(16-5-3-2-4-6-16)23(32)30(26-21)18-9-7-15(24)8-10-18/h2-14,21,25-26H,1H3
InChIKey PHEKQXJYGCBBGM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 478.896 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)OC)c1ccccc1)=O)c1ccc(cc1)Cl
SPLASH splash10-004i-9610200000-a63fff97acf7aee73499
Source of Spectrum QA-48-779-7l
Synonyms 4-(1-(4-chlorophenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-3-yl)-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795374