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L-Tyrosine, N,o-bis(caproyl)-, methyl ester

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

L-Tyrosine, N,o-bis(caproyl)-, methyl ester
SpectraBase Compound ID AacnRLH83In
InChI InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23-19(22(26)27-3)16-17-12-14-18(15-13-17)28-21(25)11-9-7-5-2/h12-15,19H,4-11,16H2,1-3H3,(H,23,24)
InChIKey BCGBTZOAIWRNEC-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKWipDxK0CX
Name L-Tyrosine, N,o-bis(caproyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.235873162 u
Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23-19(22(26)27-3)16-17-12-14-18(15-13-17)28-21(25)11-9-7-5-2/h12-15,19H,4-11,16H2,1-3H3,(H,23,24)
InChIKey BCGBTZOAIWRNEC-UHFFFAOYSA-N
Molecular Weight 391.508 g/mol
SMILES CCCCCC(=O)OC1=CC=C(C=C1)CC(C(OC)=O)NC(=O)CCCCC