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N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide

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N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
SpectraBase Compound ID DMn0PlEIvaf
InChI InChI=1S/C26H19Cl2F4N3O2/c1-13-24(14(2)35(34-13)11-16-5-8-18(27)19(28)9-16)33-26(36)17-6-3-15(4-7-17)12-37-25-22(31)20(29)10-21(30)23(25)32/h3-10H,11-12H2,1-2H3,(H,33,36)
InChIKey RQFAHHXUFFNUTA-UHFFFAOYSA-N
Mol Weight 552.36 g/mol
Molecular Formula C26H19Cl2F4N3O2
Exact Mass 551.079045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGlDnqG6yXr
Name N-[1-(3,4-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.079044914 u
Formula C26H19Cl2F4N3O2
InChI InChI=1S/C26H19Cl2F4N3O2/c1-13-24(14(2)35(34-13)11-16-5-8-18(27)19(28)9-16)33-26(36)17-6-3-15(4-7-17)12-37-25-22(31)20(29)10-21(30)23(25)32/h3-10H,11-12H2,1-2H3,(H,33,36)
InChIKey RQFAHHXUFFNUTA-UHFFFAOYSA-N
Molecular Weight 552.357 g/mol
SMILES N(C1=C(N(CC=2C=C(Cl)C(=CC2)Cl)N=C1C)C)C(C=1C=CC(COC=2C(=C(C=C(C2F)F)F)F)=CC1)=O