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isopropyl 2-chloro-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
SpectraBase Compound ID 5d2j9Is0dog
InChI InChI=1S/C21H20ClN3O3/c1-13(2)28-21(27)17-11-15(9-10-19(17)22)23-12-18-14(3)24-25(20(18)26)16-7-5-4-6-8-16/h4-13,23H,1-3H3/b18-12-
InChIKey SYIGDOUWIRGPEQ-PDGQHHTCSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D6vPi5gHT8X
Name isopropyl 2-chloro-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
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/C21H20ClN3O3/c1-13(2)28-21(27)17-11-15(9-10-19(17)22)23-12-18-14(3)24-25(20(18)26)16-7-5-4-6-8-16/h4-13,23H,1-3H3/b18-12-
InChIKey SYIGDOUWIRGPEQ-PDGQHHTCSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2306
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/8050307; UBI_ID: UBI-002307
Synonyms isopropyl 2-chloro-5-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Temperature 318 °C