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Methyl 1-(3-fluorophenyl)-5-(2-(3-fluorophenyl)-2-(1-(3-fluorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 1-(3-fluorophenyl)-5-(2-(3-fluorophenyl)-2-(1-(3-fluorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
SpectraBase Compound ID FT3jxQVoJlW
InChI InChI=1S/C27H19F3N8O5/c1-42-25(40)22-31-21(24(39)36(34-22)18-9-3-6-15(28)12-18)33-37(19-10-4-7-16(29)13-19)27-32-23(26(41)43-2)35-38(27)20-11-5-8-17(30)14-20/h3-14H,1-2H3,(H,31,33,34)
InChIKey UPIRWNBRQWKQSI-UHFFFAOYSA-N
Mol Weight 592.5 g/mol
Molecular Formula C27H19F3N8O5
Exact Mass 592.14305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8J9GpX80Xq
Name Methyl 1-(3-fluorophenyl)-5-(2-(3-fluorophenyl)-2-(1-(3-fluorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
Alternate Name(s) Methyl 1-(3-fluorophenyl)-5-(2-(3-fluorophenyl)-2-(1-(3-fluorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazineyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19F3N8O5
InChI InChI=1S/C27H19F3N8O5/c1-42-25(40)22-31-21(24(39)36(34-22)18-9-3-6-15(28)12-18)33-37(19-10-4-7-16(29)13-19)27-32-23(26(41)43-2)35-38(27)20-11-5-8-17(30)14-20/h3-14H,1-2H3,(H,31,33,34)
InChIKey UPIRWNBRQWKQSI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ajoc.201700271
Molecular Weight 592.495 g/mol
SMILES N(N(c1[n](nc(n1)C(=O)OC)-c1cc(ccc1)F)c1cc(ccc1)F)C1=NC(=NN(C1=O)c1cc(ccc1)F)C(=O)OC
SPLASH splash10-052f-6632090000-b783edd8175a8c29e20a
Source of Spectrum AJO-6-1474-3f
Wiley ID 1807928