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N-homoveratryl-3-[(2,2,2-trifluoroacetyl)amino]propionamide

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

N-homoveratryl-3-[(2,2,2-trifluoroacetyl)amino]propionamide
SpectraBase Compound ID GUQULDtt6YJ
InChI InChI=1S/C15H19F3N2O4/c1-23-11-4-3-10(9-12(11)24-2)5-7-19-13(21)6-8-20-14(22)15(16,17)18/h3-4,9H,5-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKey HRXAWHYSXLMSHF-UHFFFAOYSA-N
Mol Weight 348.32 g/mol
Molecular Formula C15H19F3N2O4
Exact Mass 348.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94el57osds0
Name N-Homoveratryl-3-[(2,2,2-trifluoroacetyl)amino]propionamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.129691585 u
Formula C15H19F3N2O4
InChI InChI=1S/C15H19F3N2O4/c1-23-11-4-3-10(9-12(11)24-2)5-7-19-13(21)6-8-20-14(22)15(16,17)18/h3-4,9H,5-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKey HRXAWHYSXLMSHF-UHFFFAOYSA-N
Molecular Weight 348.322 g/mol
SMILES C(C(=O)NCCC(=O)NCCC=1C=C(OC)C(=CC1)OC)(F)(F)F