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Isopropyl 4-({4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl}amino)benzoate

View entire compound with spectra: 2 NMR

Isopropyl 4-({4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl}amino)benzoate
SpectraBase Compound ID 3Nb8w6HMsl5
InChI InChI=1S/C24H19F4NO4/c1-13(2)33-24(31)16-7-9-17(10-8-16)29-23(30)15-5-3-14(4-6-15)12-32-22-20(27)18(25)11-19(26)21(22)28/h3-11,13H,12H2,1-2H3,(H,29,30)
InChIKey PLEKWMRYMYZBPU-UHFFFAOYSA-N
Mol Weight 461.41 g/mol
Molecular Formula C24H19F4NO4
Exact Mass 461.125021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dTplNHyEBx
Name Isopropyl 4-({4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl}amino)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.125020744 u
Formula C24H19F4NO4
InChI InChI=1S/C24H19F4NO4/c1-13(2)33-24(31)16-7-9-17(10-8-16)29-23(30)15-5-3-14(4-6-15)12-32-22-20(27)18(25)11-19(26)21(22)28/h3-11,13H,12H2,1-2H3,(H,29,30)
InChIKey PLEKWMRYMYZBPU-UHFFFAOYSA-N
Molecular Weight 461.413 g/mol
SMILES N(C(C1=CC=C(COC=2C(=C(F)C=C(C2F)F)F)C=C1)=O)C=1C=CC(C(OC(C)C)=O)=CC1