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3-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl acetate
SpectraBase Compound ID 4Gncfaes3BN
InChI InChI=1S/C29H26N4O4/c1-18-25(28(35)32(30-18)22-12-6-4-7-13-22)27(21-11-10-16-24(17-21)37-20(3)34)26-19(2)31-33(29(26)36)23-14-8-5-9-15-23/h4-17,27,35-36H,1-3H3
InChIKey PRYQYWZYKBODRD-UHFFFAOYSA-N
Mol Weight 494.55 g/mol
Molecular Formula C29H26N4O4
Exact Mass 494.195405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMuJ1TAaUuT
Name 3-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl acetate
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/C29H26N4O4/c1-18-25(28(35)32(30-18)22-12-6-4-7-13-22)27(21-11-10-16-24(17-21)37-20(3)34)26-19(2)31-33(29(26)36)23-14-8-5-9-15-23/h4-17,27,35-36H,1-3H3
InChIKey PRYQYWZYKBODRD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6285
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: NMR/11242688; Labnumber: LP-3400395; IOH_ID: IOH-006286