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N-Carboxy-L-tyrosine, N-benzyl methyl ester, benzyl carbonate

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

N-Carboxy-L-tyrosine, N-benzyl methyl ester, benzyl carbonate
SpectraBase Compound ID K8id64qK1YJ
InChI InChI=1S/C26H25NO7/c1-31-24(28)23(27-25(29)32-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)34-26(30)33-18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,29)
InChIKey QKHSBRIDZNJNNB-UHFFFAOYSA-N
Mol Weight 463.49 g/mol
Molecular Formula C26H25NO7
Exact Mass 463.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tOWIIWK00I
Name N-Carboxy-L-tyrosine, N-benzyl methyl ester, benzyl carbonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.163102142 u
Formula C26H25NO7
InChI InChI=1S/C26H25NO7/c1-31-24(28)23(27-25(29)32-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)34-26(30)33-18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,29)
InChIKey QKHSBRIDZNJNNB-UHFFFAOYSA-N
Molecular Weight 463.486 g/mol
SMILES N(C(C(OC)=O)CC1=CC=C(OC(OCC=2C=CC=CC2)=O)C=C1)C(=O)OCC=1C=CC=CC1