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

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2-(4-Fluorophenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID 7yiCKCQ38wv
InChI InChI=1S/C23H19FN6O3/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 ZPWXWPRTSOBFCG-UHFFFAOYSA-N
Mol Weight 446.44 g/mol
Molecular Formula C23H19FN6O3
Exact Mass 446.150267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTNut3wpovz
Name 2-(4-Fluorophenyl)-6-[3-(4-methylphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Alternate Name(s) 4-(1-(4-fluorophenyl)-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 C23H19FN6O3
InChI InChI=1S/C23H19FN6O3/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 ZPWXWPRTSOBFCG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 446.442 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)C)c1ccc(cc1)F)=O)c1ccccc1
SPLASH splash10-016v-9400000000-f3275953159ac632f65e
Source of Spectrum QA-48-780-7n
Wiley ID 1795375