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4-chloro-3,5-bis(3-methoxyphenyl)-1-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
SpectraBase Compound ID HmIhW8aZeuf
InChI InChI=1S/C22H20ClN5O4/c1-14-10-19(28(29)30)24-26(14)13-27-22(16-7-5-9-18(12-16)32-3)20(23)21(25-27)15-6-4-8-17(11-15)31-2/h4-12H,13H2,1-3H3
InChIKey AQVHUFQHYWDICS-UHFFFAOYSA-N
Mol Weight 453.89 g/mol
Molecular Formula C22H20ClN5O4
Exact Mass 453.120382 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9IPHr91BL70
Name 4-chloro-3,5-bis(3-methoxyphenyl)-1-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
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/C22H20ClN5O4/c1-14-10-19(28(29)30)24-26(14)13-27-22(16-7-5-9-18(12-16)32-3)20(23)21(25-27)15-6-4-8-17(11-15)31-2/h4-12H,13H2,1-3H3
InChIKey AQVHUFQHYWDICS-UHFFFAOYSA-N
NMR Offset 17.911
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_30638
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: 1722165; SBI_ID: SBI-030642
Temperature 303 °C