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N-cis-p-Coumaroyltyrosine, 4me derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

N-cis-p-Coumaroyltyrosine, 4me derivative
SpectraBase Compound ID uz0NXngMNk
InChI InChI=1S/C22H25NO5/c1-23(21(24)14-9-16-5-10-18(26-2)11-6-16)20(22(25)28-4)15-17-7-12-19(27-3)13-8-17/h5-14,20H,15H2,1-4H3/b14-9-/t20-/m0/s1
InChIKey NOVVIOYNBXCGAG-VHNWJRSRSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8nWanx8uXP
Name N-cis-p-Coumaroyltyrosine, 4me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.173272904 u
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-23(21(24)14-9-16-5-10-18(26-2)11-6-16)20(22(25)28-4)15-17-7-12-19(27-3)13-8-17/h5-14,20H,15H2,1-4H3/b14-9-/t20-/m0/s1
InChIKey NOVVIOYNBXCGAG-VHNWJRSRSA-N
Molecular Weight 383.444 g/mol
SMILES C1=C(C=CC(=C1)C[C@@](C(OC)=O)(N(C(\C=C/C1=CC=C(C=C1)OC)=O)C)[H])OC