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p-{{{5-oxo-1-[p-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyrazolin-4-ylidene}methyl}amino}benzoic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

p-{{{5-oxo-1-[p-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyrazolin-4-ylidene}methyl}amino}benzoic acid, methyl ester
SpectraBase Compound ID 5iFNLyjitG5
InChI InChI=1S/C20H13F6N3O4/c1-32-18(31)11-2-4-12(5-3-11)27-10-15-16(19(21,22)23)28-29(17(15)30)13-6-8-14(9-7-13)33-20(24,25)26/h2-10,27H,1H3
InChIKey UQUNWYNORYLNHO-UHFFFAOYSA-N
Mol Weight 473.33 g/mol
Molecular Formula C20H13F6N3O4
Exact Mass 473.081025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhRlxdqCJkl
Name p-{{{5-oxo-1-[p-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyrazolin-4-ylidene}methyl}amino}benzoic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.081024885 u
Formula C20H13F6N3O4
InChI InChI=1S/C20H13F6N3O4/c1-32-18(31)11-2-4-12(5-3-11)27-10-15-16(19(21,22)23)28-29(17(15)30)13-6-8-14(9-7-13)33-20(24,25)26/h2-10,27H,1H3
InChIKey UQUNWYNORYLNHO-UHFFFAOYSA-N
Molecular Weight 473.331 g/mol
SMILES N(C=C1C(=O)N(N=C1C(F)(F)F)C=1C=CC(=CC1)OC(F)(F)F)C=1C=CC(=CC1)C(=O)OC