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3-(4-Methylphenyl)-4-[4-(4-ethoxycarbonylphenylamino)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]sydnon
SpectraBase Compound ID 8ZLK4E3EFrz
InChI InChI=1S/C27H24N6O5/c1-4-37-25(34)19-9-11-20(12-10-19)28-33-24(29-32(27(33)36)22-15-7-18(3)8-16-22)23-26(35)38-30-31(23)21-13-5-17(2)6-14-21/h5-16H,4H2,1-3H3,(H-,28,29,30,34,35)
InChIKey ZNDMYJRSNBDIBQ-UHFFFAOYSA-N
Mol Weight 512.53 g/mol
Molecular Formula C27H24N6O5
Exact Mass 512.180818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oudvwHH5DB
Name 3-(4-Methylphenyl)-4-[4-(4-ethoxycarbonylphenylamino)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]sydnon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N6O5
InChI InChI=1S/C27H24N6O5/c1-4-37-25(34)19-9-11-20(12-10-19)28-33-24(29-32(27(33)36)22-15-7-18(3)8-16-22)23-26(35)38-30-31(23)21-13-5-17(2)6-14-21/h5-16H,4H2,1-3H3,(H-,28,29,30,34,35)
InChIKey ZNDMYJRSNBDIBQ-UHFFFAOYSA-N
Molecular Weight 512.526 g/mol
SMILES N(N1C(c2[n+](noc2[O-])-c2ccc(cc2)C)=NN(c2ccc(cc2)C)C1=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0006-9210100000-af9e8732b63e9be45479
Source of Spectrum QA-47-239-13i
Wiley ID 863371