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4-acetyl-1-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
SpectraBase Compound ID QzzjHMasEC
InChI InChI=1S/C23H19BrClN3O4/c1-13(29)19-20(15-5-9-17(32-2)10-6-15)28(23(31)21(19)30)22-18(24)12-27(26-22)11-14-3-7-16(25)8-4-14/h3-10,12,20,30H,11H2,1-2H3
InChIKey VPIYBNCAWUZGRB-UHFFFAOYSA-N
Mol Weight 516.78 g/mol
Molecular Formula C23H19BrClN3O4
Exact Mass 515.024747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7oDSRDW58CZ
Name 4-acetyl-1-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
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/C23H19BrClN3O4/c1-13(29)19-20(15-5-9-17(32-2)10-6-15)28(23(31)21(19)30)22-18(24)12-27(26-22)11-14-3-7-16(25)8-4-14/h3-10,12,20,30H,11H2,1-2H3
InChIKey VPIYBNCAWUZGRB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33327
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: 1927271; SBI_ID: SBI-033331
Temperature 318 °C