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4-[({1-[(2-chlorophenoxy)methyl]-1H-pyrazol-5-yl}carbonyl)amino]-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID BaByNOmwtpd
InChI InChI=1S/C21H25ClN6O3/c1-4-27-12-16(19(26-27)21(30)23-11-14(2)3)25-20(29)17-9-10-24-28(17)13-31-18-8-6-5-7-15(18)22/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,30)(H,25,29)
InChIKey PPNPGIFVADAAGJ-UHFFFAOYSA-N
Mol Weight 444.92 g/mol
Molecular Formula C21H25ClN6O3
Exact Mass 444.167666 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4WxPMqNtSZ9
Name 4-[({1-[(2-chlorophenoxy)methyl]-1H-pyrazol-5-yl}carbonyl)amino]-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
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/C21H25ClN6O3/c1-4-27-12-16(19(26-27)21(30)23-11-14(2)3)25-20(29)17-9-10-24-28(17)13-31-18-8-6-5-7-15(18)22/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,30)(H,25,29)
InChIKey PPNPGIFVADAAGJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30125
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: 1679768; SBI_ID: SBI-030129
Temperature 318 °C