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N-[1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide

View entire compound with spectra: 1 NMR

N-[1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
SpectraBase Compound ID P3W5y5lX7M
InChI InChI=1S/C23H23ClFN7O4/c1-11-20(13(3)30(27-11)9-16-6-7-17(25)8-19(16)24)26-23(33)21-18(15(5)36-29-21)10-31-14(4)22(32(34)35)12(2)28-31/h6-8H,9-10H2,1-5H3,(H,26,33)
InChIKey DIPALJRYZRIHTO-UHFFFAOYSA-N
Mol Weight 515.93 g/mol
Molecular Formula C23H23ClFN7O4
Exact Mass 515.148408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ZewFyXKtf3
Name N-[1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
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/C23H23ClFN7O4/c1-11-20(13(3)30(27-11)9-16-6-7-17(25)8-19(16)24)26-23(33)21-18(15(5)36-29-21)10-31-14(4)22(32(34)35)12(2)28-31/h6-8H,9-10H2,1-5H3,(H,26,33)
InChIKey DIPALJRYZRIHTO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32971
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: 1911832; SBI_ID: SBI-032975
Temperature 318 °C