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4-oh-Metoprolol-N-tfa,bis(o-tms)

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4-oh-Metoprolol-N-tfa,bis(o-tms)
SpectraBase Compound ID 3P3DqUTVTPi
InChI InChI=1S/C23H40F3NO5Si2/c1-17(2)27(22(28)23(24,25)26)16-20(31-33(4,5)6)21(32-34(7,8)9)30-19-12-10-18(11-13-19)14-15-29-3/h10-13,17,20-21H,14-16H2,1-9H3
InChIKey BRVCKUXYHPNOBD-UHFFFAOYSA-N
Mol Weight 523.7 g/mol
Molecular Formula C23H40F3NO5Si2
Exact Mass 523.239711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEOrCNfWPAM
Name 4-oh-Metoprolol-N-tfa,bis(o-tms)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.239710946 u
Formula C23H40F3NO5Si2
InChI InChI=1S/C23H40F3NO5Si2/c1-17(2)27(22(28)23(24,25)26)16-20(31-33(4,5)6)21(32-34(7,8)9)30-19-12-10-18(11-13-19)14-15-29-3/h10-13,17,20-21H,14-16H2,1-9H3
InChIKey BRVCKUXYHPNOBD-UHFFFAOYSA-N
Molecular Weight 523.740 g/mol
SMILES C(N(CC(C(O[Si](C)(C)C)OC=1C=CC(=CC1)CCOC)O[Si](C)(C)C)C(C)C)(C(F)(F)F)=O