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4-[{4-[(4-chlorobenzyl)oxy]phenyl}(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol
SpectraBase Compound ID 1jAnBnW6hzy
InChI InChI=1S/C22H21ClN4O3/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)15-5-9-17(10-6-15)30-11-14-3-7-16(23)8-4-14/h3-10,20H,11H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey KITHKMRLVISMGS-UHFFFAOYSA-N
Mol Weight 424.89 g/mol
Molecular Formula C22H21ClN4O3
Exact Mass 424.130218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JxwRb8LDJkQ
Name 4-[{4-[(4-chlorobenzyl)oxy]phenyl}(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol
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/C22H21ClN4O3/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)15-5-9-17(10-6-15)30-11-14-3-7-16(23)8-4-14/h3-10,20H,11H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey KITHKMRLVISMGS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_520
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: C30049; Labnumber: PETROV-0383; SBI_ID: SBI-000522
Temperature 318 °C