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3-(N-Benzyl-N-ethoxycarbonylamido)-4-phenyl-1,1,1-trifluoro-2-butanone

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

3-(N-Benzyl-N-ethoxycarbonylamido)-4-phenyl-1,1,1-trifluoro-2-butanone
SpectraBase Compound ID HJDVScdBK8u
InChI InChI=1S/C20H20F3NO3/c1-2-27-19(26)24(14-16-11-7-4-8-12-16)17(18(25)20(21,22)23)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKey NZJMOTYPFVTTRC-UHFFFAOYSA-N
Mol Weight 379.38 g/mol
Molecular Formula C20H20F3NO3
Exact Mass 379.139528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84K5qCe9VOn
Name 3-(N-Benzyl-N-ethoxycarbonylamido)-4-phenyl-1,1,1-trifluoro-2-butanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.139527994 u
Formula C20H20F3NO3
InChI InChI=1S/C20H20F3NO3/c1-2-27-19(26)24(14-16-11-7-4-8-12-16)17(18(25)20(21,22)23)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKey NZJMOTYPFVTTRC-UHFFFAOYSA-N
Molecular Weight 379.379 g/mol
SMILES C(C(N(C(=O)OCC)CC1=CC=CC=C1)CC=1C=CC=CC1)(C(F)(F)F)=O