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2-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-3,4-dihydro-3-oxo-1,2,4,5-tetrazin-1(2H)-yl radical

View entire compound with spectra: 1 MS (GC)

2-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-3,4-dihydro-3-oxo-1,2,4,5-tetrazin-1(2H)-yl radical
SpectraBase Compound ID 9m6GIluLC84
InChI InChI=1S/C23H16ClN6O4/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/h2-14H,1H3
InChIKey SVWANCMBDSCDNF-UHFFFAOYSA-N
Mol Weight 476.88 g/mol
Molecular Formula C23H17ClN6O4
Exact Mass 476.099981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTVhLmi2Ywx
Name 2-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-3,4-dihydro-3-oxo-1,2,4,5-tetrazin-1(2H)-yl radical
Alternate Name(s) 4-(1-(4-chlorophenyl)-6-oxo-5-phenyl-5,6-dihydro-1H-1,2lambda2,4,5-tetrazin-3-yl)-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16ClN6O4
InChI InChI=1S/C23H16ClN6O4/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/h2-14H,1H3
InChIKey SVWANCMBDSCDNF-UHFFFAOYSA-N
Molecular Weight 476.880 g/mol
SMILES N1N(C(N(N=C1c1c(on[n+]1-c1ccc(cc1)OC)[O-])c1ccccc1)=O)c1ccc(cc1)Cl
SPLASH splash10-0gec-5900100000-e475ee8ef6a88f78b468
Source of Spectrum QA-48-781-9e
Wiley ID 1795391