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3-Amino-N-[4-(4-hydroxy-3-methoxy-benzylidene)-5-oxo-1-(2,4,6-trichloro-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-benzamide
SpectraBase Compound ID 8QqfzIjyNSU
InChI InChI=1S/C24H17Cl3N4O4/c1-35-20-8-12(5-6-19(20)32)7-16-22(29-23(33)13-3-2-4-15(28)9-13)30-31(24(16)34)21-17(26)10-14(25)11-18(21)27/h2-11,32H,28H2,1H3,(H,29,30,33)/b16-7-
InChIKey DIBASTNOIOWZCO-APSNUPSMSA-N
Mol Weight 531.78 g/mol
Molecular Formula C24H17Cl3N4O4
Exact Mass 530.031538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pPRc4PqqKK
Name 3-Amino-N-[4-(4-hydroxy-3-methoxy-benzylidene)-5-oxo-1-(2,4,6-trichloro-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.031538139 u
Formula C24H17Cl3N4O4
InChI InChI=1S/C24H17Cl3N4O4/c1-35-20-8-12(5-6-19(20)32)7-16-22(29-23(33)13-3-2-4-15(28)9-13)30-31(24(16)34)21-17(26)10-14(25)11-18(21)27/h2-11,32H,28H2,1H3,(H,29,30,33)/b16-7-
InChIKey DIBASTNOIOWZCO-APSNUPSMSA-N
Molecular Weight 531.783 g/mol
SMILES COC=1C=C(\C=C/2C(N(N=C2NC(C=2C=C(N)C=CC2)=O)C=2C(=CC(=CC2Cl)Cl)Cl)=O)C=CC1O