4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 3-chlorobenzoate

SpectraBase Compound ID	HWDPFe8jknx
InChI	InChI=1S/C22H19ClN4O4/c1-11-17(20(28)26-24-11)19(18-12(2)25-27-21(18)29)13-6-8-16(9-7-13)31-22(30)14-4-3-5-15(23)10-14/h3-10,19H,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey	COHJZVZKILLNAO-UHFFFAOYSA-N Google Search
Mol Weight	438.87 g/mol
Molecular Formula	C22H19ClN4O4
Exact Mass	438.109483 g/mol

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SpectraBase Spectrum ID	CuY2bJBQWAr
Name	4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 3-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/C22H19ClN4O4/c1-11-17(20(28)26-24-11)19(18-12(2)25-27-21(18)29)13-6-8-16(9-7-13)31-22(30)14-4-3-5-15(23)10-14/h3-10,19H,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey	COHJZVZKILLNAO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_517
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: C30045; Labnumber: PETROV-0369; SBI_ID: SBI-000519
Temperature	318 °C