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2-(4-Chlorophenyl)-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-Chlorophenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID 9CaUVSBmcE1
InChI InChI=1S/C23H19ClN6O3/c1-15-7-11-18(12-8-15)28-20(22(31)33-27-28)21-25-29(17-5-3-2-4-6-17)23(32)30(26-21)19-13-9-16(24)10-14-19/h2-14,21,25-26H,1H3
InChIKey SRAQFUYNTJOKSR-UHFFFAOYSA-N
Mol Weight 462.9 g/mol
Molecular Formula C23H19ClN6O3
Exact Mass 462.120716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATdLbwhirwi
Name 2-(4-Chlorophenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Alternate Name(s) 4-(1-(4-chlorophenyl)-6-oxo-5-phenyl-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 C23H19ClN6O3
InChI InChI=1S/C23H19ClN6O3/c1-15-7-11-18(12-8-15)28-20(22(31)33-27-28)21-25-29(17-5-3-2-4-6-17)23(32)30(26-21)19-13-9-16(24)10-14-19/h2-14,21,25-26H,1H3
InChIKey SRAQFUYNTJOKSR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 462.897 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)C)c1ccccc1)=O)c1ccc(cc1)Cl
SPLASH splash10-002f-9420300000-1d6f280634c8e79360c6
Source of Spectrum QA-48-779-7j
Wiley ID 1795372