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Propranolol-N-tfa,o-tms

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Propranolol-N-tfa,o-tms
SpectraBase Compound ID AnpAnyY0WsM
InChI InChI=1S/C21H28F3NO3Si/c1-15(2)25(20(26)21(22,23)24)13-17(28-29(3,4)5)14-27-19-12-8-10-16-9-6-7-11-18(16)19/h6-12,15,17H,13-14H2,1-5H3
InChIKey BUABIQDANVWWGN-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H28F3NO3Si
Exact Mass 427.179055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Crjhej3sbFF
Name Propranolol-N-tfa,o-tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.179054787 u
Formula C21H28F3NO3Si
InChI InChI=1S/C21H28F3NO3Si/c1-15(2)25(20(26)21(22,23)24)13-17(28-29(3,4)5)14-27-19-12-8-10-16-9-6-7-11-18(16)19/h6-12,15,17H,13-14H2,1-5H3
InChIKey BUABIQDANVWWGN-UHFFFAOYSA-N
Molecular Weight 427.539 g/mol
SMILES C(C(F)(F)F)(N(CC(O[Si](C)(C)C)COC1=C2C(C=CC=C2)=CC=C1)C(C)C)=O