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4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate
SpectraBase Compound ID uOrcEfLZVc
InChI InChI=1S/C23H21ClN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-8-9-16(17(10-13)32-3)33-23(31)14-6-4-5-7-15(14)24/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey UAIKTYLXOQVKFT-UHFFFAOYSA-N
Mol Weight 468.9 g/mol
Molecular Formula C23H21ClN4O5
Exact Mass 468.120047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Ob7KTGj2ZG
Name 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-chlorobenzoate
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/C23H21ClN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-8-9-16(17(10-13)32-3)33-23(31)14-6-4-5-7-15(14)24/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey UAIKTYLXOQVKFT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_511
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: C30034; Labnumber: PETROV-0325; SBI_ID: SBI-000513
Temperature 318 °C