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3-(4-Methylphenyl)-4-[1-(4-chlorophenyl)-4-(4-ethoxycarbonylphenylamino)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]sydnon
SpectraBase Compound ID BrBsqoHsOTr
InChI InChI=1S/C26H21ClN6O5/c1-3-37-24(34)17-6-10-19(11-7-17)28-33-23(29-32(26(33)36)21-14-8-18(27)9-15-21)22-25(35)38-30-31(22)20-12-4-16(2)5-13-20/h4-15H,3H2,1-2H3,(H-,28,29,30,34,35)
InChIKey YDYJDXMIKAWKLG-UHFFFAOYSA-N
Mol Weight 532.94 g/mol
Molecular Formula C26H21ClN6O5
Exact Mass 532.126195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwC0UNQDtz8
Name 3-(4-Methylphenyl)-4-[1-(4-chlorophenyl)-4-(4-ethoxycarbonylphenylamino)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]sydnon
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClN6O5
InChI InChI=1S/C26H21ClN6O5/c1-3-37-24(34)17-6-10-19(11-7-17)28-33-23(29-32(26(33)36)21-14-8-18(27)9-15-21)22-25(35)38-30-31(22)20-12-4-16(2)5-13-20/h4-15H,3H2,1-2H3,(H-,28,29,30,34,35)
InChIKey YDYJDXMIKAWKLG-UHFFFAOYSA-N
Molecular Weight 532.944 g/mol
SMILES N(N1C(c2[n+](noc2[O-])-c2ccc(cc2)C)=NN(c2ccc(cc2)Cl)C1=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-00xu-9401110000-8965b927486acca4bc4a
Source of Spectrum QA-47-239-13
Wiley ID 863370