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valine, N-[(2Z)-2-(acetylamino)-1-oxo-3-phenyl-2-propenyl]-

View entire compound with spectra: 2 NMR

valine, N-[(2Z)-2-(acetylamino)-1-oxo-3-phenyl-2-propenyl]-
SpectraBase Compound ID 6cYmjLIM2MA
InChI InChI=1S/C16H20N2O4/c1-10(2)14(16(21)22)18-15(20)13(17-11(3)19)9-12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,17,19)(H,18,20)(H,21,22)/b13-9-
InChIKey FABYPXIXLKUNOF-LCYFTJDESA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A5lFJcj4RS
Name Valine, N-[(2Z)-2-(acetylamino)-1-oxo-3-phenyl-2-propenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.142307128 u
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-10(2)14(16(21)22)18-15(20)13(17-11(3)19)9-12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,17,19)(H,18,20)(H,21,22)/b13-9-
InChIKey FABYPXIXLKUNOF-LCYFTJDESA-N
Molecular Weight 304.346 g/mol
SMILES N(C(\C(NC(=O)C)=C/C=1C=CC=CC1)=O)C(C(=O)O)C(C)C