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4-[{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol
SpectraBase Compound ID ArKVoa585bS
InChI InChI=1S/C23H23ClN4O4/c1-12-19(22(29)27-25-12)21(20-13(2)26-28-23(20)30)14-8-9-17(18(10-14)31-3)32-11-15-6-4-5-7-16(15)24/h4-10,21H,11H2,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey NKXJYXPDJWZEOS-UHFFFAOYSA-N
Mol Weight 454.91 g/mol
Molecular Formula C23H23ClN4O4
Exact Mass 454.140783 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LJ1iSKCTjri
Name 4-[{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}(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/C23H23ClN4O4/c1-12-19(22(29)27-25-12)21(20-13(2)26-28-23(20)30)14-8-9-17(18(10-14)31-3)32-11-15-6-4-5-7-16(15)24/h4-10,21H,11H2,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey NKXJYXPDJWZEOS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_523
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: C30052; Labnumber: PETROV-0393; SBI_ID: SBI-000525
Temperature 318 °C