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2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
SpectraBase Compound ID 3j1ddUVrIht
InChI InChI=1S/C18H18ClFN6O3/c1-10-17(12(3)24(22-10)8-13-4-6-14(20)7-5-13)21-15(27)9-25-11(2)16(19)18(23-25)26(28)29/h4-7H,8-9H2,1-3H3,(H,21,27)
InChIKey AOKCWIJNOLAPMV-UHFFFAOYSA-N
Mol Weight 420.83 g/mol
Molecular Formula C18H18ClFN6O3
Exact Mass 420.111294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gxm0x0yR3x7
Name 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
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/C18H18ClFN6O3/c1-10-17(12(3)24(22-10)8-13-4-6-14(20)7-5-13)21-15(27)9-25-11(2)16(19)18(23-25)26(28)29/h4-7H,8-9H2,1-3H3,(H,21,27)
InChIKey AOKCWIJNOLAPMV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11664
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: UZI/9098930; UBI_ID: UBI-011667
Temperature 308 °C