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m-Fluorophenylalanine, 2tbdms derivative
SpectraBase Compound ID JoMg4SgJEiJ
InChI InChI=1S/C21H38FNO2Si2/c1-20(2,3)26(7,8)23-18(15-16-12-11-13-17(22)14-16)19(24)25-27(9,10)21(4,5)6/h11-14,18,23H,15H2,1-10H3
InChIKey YGDJTKXXWHXOAX-UHFFFAOYSA-N
Mol Weight 411.7 g/mol
Molecular Formula C21H38FNO2Si2
Exact Mass 411.242511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cNJ54WWE0d
Name m-Fluorophenylalanine, 2tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 411.242510699 u
Formula C21H38FNO2Si2
InChI InChI=1S/C21H38FNO2Si2/c1-20(2,3)26(7,8)23-18(15-16-12-11-13-17(22)14-16)19(24)25-27(9,10)21(4,5)6/h11-14,18,23H,15H2,1-10H3
InChIKey YGDJTKXXWHXOAX-UHFFFAOYSA-N
Molecular Weight 411.708 g/mol
SMILES C1(=CC=CC(=C1)F)CC(C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C