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4,4,4-Trifluoro-3-(1-phenylethylamino)but-2-enoic acid (1-phenylethyl)amide

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4,4,4-Trifluoro-3-(1-phenylethylamino)but-2-enoic acid (1-phenylethyl)amide
SpectraBase Compound ID DtRBIEPpiBW
InChI InChI=1S/C20H21F3N2O/c1-14(16-9-5-3-6-10-16)24-18(20(21,22)23)13-19(26)25-15(2)17-11-7-4-8-12-17/h3-15,24H,1-2H3,(H,25,26)/b18-13-
InChIKey DLWFXPHABCNOQI-AQTBWJFISA-N
Mol Weight 362.4 g/mol
Molecular Formula C20H21F3N2O
Exact Mass 362.160598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9BcMgtn4Ra
Name 4,4,4-Trifluoro-3-(1-phenylethylamino)but-2-enoic acid (1-phenylethyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.160597792 u
Formula C20H21F3N2O
InChI InChI=1S/C20H21F3N2O/c1-14(16-9-5-3-6-10-16)24-18(20(21,22)23)13-19(26)25-15(2)17-11-7-4-8-12-17/h3-15,24H,1-2H3,(H,25,26)/b18-13-
InChIKey DLWFXPHABCNOQI-AQTBWJFISA-N
Molecular Weight 362.396 g/mol
SMILES C(\C=C\(C(F)(F)F)NC(C1=CC=CC=C1)C)(NC(C1=CC=CC=C1)C)=O