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N-(4-Oxopent-2-en-2-yl)-o-trimethylsilyltyrosyllencine, methyl ester

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N-(4-Oxopent-2-en-2-yl)-o-trimethylsilyltyrosyllencine, methyl ester
SpectraBase Compound ID 7uZaUqGW7VA
InChI InChI=1S/C20H30N2O5Si/c1-14(11-15(2)23)22-18(20(25)21-13-19(24)26-3)12-16-7-9-17(10-8-16)27-28(4,5)6/h7-11,18,22H,12-13H2,1-6H3,(H,21,25)/b14-11+
InChIKey NITDYXZOINALFY-SDNWHVSQSA-N
Mol Weight 406.55 g/mol
Molecular Formula C20H30N2O5Si
Exact Mass 406.192399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3us40JrPmmT
Name N-(4-Oxopent-2-en-2-yl)-o-trimethylsilyltyrosyllencine, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.192398604 u
Formula C20H30N2O5Si
InChI InChI=1S/C20H30N2O5Si/c1-14(11-15(2)23)22-18(20(25)21-13-19(24)26-3)12-16-7-9-17(10-8-16)27-28(4,5)6/h7-11,18,22H,12-13H2,1-6H3,(H,21,25)/b14-11+
InChIKey NITDYXZOINALFY-SDNWHVSQSA-N
Molecular Weight 406.554 g/mol
SMILES C(=O)(OC)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N\C(=C\C(=O)C)C