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propyl 5-({(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
SpectraBase Compound ID GW7MrcncP1C
InChI InChI=1S/C21H19BrClN3O3/c1-3-10-29-21(28)17-11-15(6-9-19(17)23)24-12-18-13(2)25-26(20(18)27)16-7-4-14(22)5-8-16/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-
InChIKey VBSOTPPRBXPGGA-PDGQHHTCSA-N
Mol Weight 476.76 g/mol
Molecular Formula C21H19BrClN3O3
Exact Mass 475.029832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID INTMbKMtNX2
Name propyl 5-({(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
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/C21H19BrClN3O3/c1-3-10-29-21(28)17-11-15(6-9-19(17)23)24-12-18-13(2)25-26(20(18)27)16-7-4-14(22)5-8-16/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-
InChIKey VBSOTPPRBXPGGA-PDGQHHTCSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2542
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/8055259; UBI_ID: UBI-002543
Synonyms propyl 5-({[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
Temperature 318 °C