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Ethyl 3,3,3-trifluoro-2-(3-[3-(trifluoromethyl)phenyl]ureido)propionate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Ethyl 3,3,3-trifluoro-2-(3-[3-(trifluoromethyl)phenyl]ureido)propionate
SpectraBase Compound ID 1bQwEgAx1L9
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C13H12F6N2O3
Exact Mass 358.075211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38p6IUd6TFj
Name Ethyl 3,3,3-trifluoro-2-(3-[3-(trifluoromethyl)phenyl]ureido)propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.075211229 u
Formula C13H12F6N2O3
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Molecular Weight 358.240 g/mol
SMILES C(OC(C(NC(=O)NC1=CC(C(F)(F)F)=CC=C1)C(F)(F)F)=O)C