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Ferulic acid glycineconjugate 3TMS    @
SpectraBase Compound ID LSWuaEGM7V
InChI InChI=1S/C21H37NO5Si3/c1-25-19-15-17(11-13-18(19)26-29(5,6)7)12-14-20(23)22(28(2,3)4)16-21(24)27-30(8,9)10/h11-15H,16H2,1-10H3/b14-12+
InChIKey HWRSTKIKMAUPFM-WYMLVPIESA-N
Mol Weight 467.8 g/mol
Molecular Formula C21H37NO5Si3
Exact Mass 467.197953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZjhphsJtES
Name Ferulic acid glycineconjugate 3tms @P1612
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.197952895 u
Formula C21H37NO5Si3
InChI InChI=1S/C21H37NO5Si3/c1-25-19-15-17(11-13-18(19)26-29(5,6)7)12-14-20(23)22(28(2,3)4)16-21(24)27-30(8,9)10/h11-15H,16H2,1-10H3/b14-12+
InChIKey HWRSTKIKMAUPFM-WYMLVPIESA-N
Molecular Weight 467.784 g/mol
SMILES COC=1C(O[Si](C)(C)C)=CC=C(C1)\C=C\C(N(CC(O[Si](C)(C)C)=O)[Si](C)(C)C)=O