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4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate
SpectraBase Compound ID zMNPGbcPpV
InChI InChI=1S/C34H27FN4O4/c1-21-29(32(40)38(36-21)24-11-5-3-6-12-24)31(30-22(2)37-39(33(30)41)25-13-7-4-8-14-25)23-17-19-26(20-18-23)43-34(42)27-15-9-10-16-28(27)35/h3-20,31,40-41H,1-2H3
InChIKey WUIUEFNNXXXENW-UHFFFAOYSA-N
Mol Weight 574.6 g/mol
Molecular Formula C34H27FN4O4
Exact Mass 574.201634 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Qlw1wDDZRx
Name 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-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/C34H27FN4O4/c1-21-29(32(40)38(36-21)24-11-5-3-6-12-24)31(30-22(2)37-39(33(30)41)25-13-7-4-8-14-25)23-17-19-26(20-18-23)43-34(42)27-15-9-10-16-28(27)35/h3-20,31,40-41H,1-2H3
InChIKey WUIUEFNNXXXENW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_500
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: C30021; Labnumber: PETROV-0011; SBI_ID: SBI-000502
Temperature 318 °C