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N-tfa-L-Prolyltyrosine butyl ester monotms
SpectraBase Compound ID KaltEiaBWzY
InChI InChI=1S/C23H33F3N2O5Si/c1-5-6-14-32-21(30)18(15-16-9-11-17(12-10-16)33-34(2,3)4)27-20(29)19-8-7-13-28(19)22(31)23(24,25)26/h9-12,18-19H,5-8,13-15H2,1-4H3,(H,27,29)
InChIKey HUQBAGXGQIFOTB-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C23H33F3N2O5Si
Exact Mass 502.211083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVL2uk1AgPR
Name N-tfa-L-Prolyltyrosine butyl ester monotms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.211083190 u
Formula C23H33F3N2O5Si
InChI InChI=1S/C23H33F3N2O5Si/c1-5-6-14-32-21(30)18(15-16-9-11-17(12-10-16)33-34(2,3)4)27-20(29)19-8-7-13-28(19)22(31)23(24,25)26/h9-12,18-19H,5-8,13-15H2,1-4H3,(H,27,29)
InChIKey HUQBAGXGQIFOTB-UHFFFAOYSA-N
Molecular Weight 502.606 g/mol
SMILES C(N1C(C(NC(C(=O)OCCCC)CC=2C=CC(O[Si](C)(C)C)=CC2)=O)CCC1)(C(F)(F)F)=O