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4-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
SpectraBase Compound ID 1qRP9EsXpww
InChI InChI=1S/C18H12Cl3N3O3/c1-9-13(8-22-12-4-2-10(3-5-12)18(26)27)17(25)24(23-9)16-14(20)6-11(19)7-15(16)21/h2-8,22H,1H3,(H,26,27)/b13-8-
InChIKey RIDFQQWQXALMMK-JYRVWZFOSA-N
Mol Weight 424.67 g/mol
Molecular Formula C18H12Cl3N3O3
Exact Mass 422.994424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQCQIPf6fq7
Name 4-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H12Cl3N3O3/c1-9-13(8-22-12-4-2-10(3-5-12)18(26)27)17(25)24(23-9)16-14(20)6-11(19)7-15(16)21/h2-8,22H,1H3,(H,26,27)/b13-8-
InChIKey RIDFQQWQXALMMK-JYRVWZFOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16500
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8126254; UBI_ID: UBI-016503
Synonyms 4-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Temperature 308 °C