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

View entire compound with spectra: 1 MS (GC)

2-(4-Fluorophenyl)-4-(4-methylphenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID AqCM2GDIKMq
InChI InChI=1S/C24H21FN6O3/c1-15-3-9-18(10-4-15)29-21(23(32)34-28-29)22-26-30(19-11-5-16(2)6-12-19)24(33)31(27-22)20-13-7-17(25)8-14-20/h3-14,22,26-27H,1-2H3
InChIKey JPHIPLOEVITPOZ-UHFFFAOYSA-N
Mol Weight 460.47 g/mol
Molecular Formula C24H21FN6O3
Exact Mass 460.165917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsN5EBc0zLX
Name 2-(4-Fluorophenyl)-4-(4-methylphenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-1,2,4,5-tetrazinan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21FN6O3
InChI InChI=1S/C24H21FN6O3/c1-15-3-9-18(10-4-15)29-21(23(32)34-28-29)22-26-30(19-11-5-16(2)6-12-19)24(33)31(27-22)20-13-7-17(25)8-14-20/h3-14,22,26-27H,1-2H3
InChIKey JPHIPLOEVITPOZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 460.469 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)C)c1ccc(cc1)F)=O)c1ccc(cc1)C
SPLASH splash10-0006-9500000000-f38a6fe35ca19cec11ef
Source of Spectrum QA-48-780-7o
Synonyms 4-(1-(4-fluorophenyl)-6-oxo-5-(p-tolyl)-1,2,4,5-tetrazinan-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795376