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4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-fluorobenzoate
SpectraBase Compound ID lqduPktAL
InChI InChI=1S/C23H21FN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)14-6-9-16(17(10-14)32-3)33-23(31)13-4-7-15(24)8-5-13/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey UAYJECIKVKBOQY-UHFFFAOYSA-N
Mol Weight 452.44 g/mol
Molecular Formula C23H21FN4O5
Exact Mass 452.149598 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IrNKk0ivfqI
Name 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-fluorobenzoate
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/C23H21FN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)14-6-9-16(17(10-14)32-3)33-23(31)13-4-7-15(24)8-5-13/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey UAYJECIKVKBOQY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_512
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: C30038; Labnumber: PETROV-0331; SBI_ID: SBI-000514
Temperature 318 °C