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(Trifluoroacetyl)penbutolol

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

(Trifluoroacetyl)penbutolol
SpectraBase Compound ID Ait4W2dTKWL
InChI InChI=1S/C20H28F3NO3/c1-19(2,3)24-12-15(27-18(25)20(21,22)23)13-26-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,24H,4-5,8-9,12-13H2,1-3H3
InChIKey AGAZMBWJQZTEMM-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H28F3NO3
Exact Mass 387.202128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eZiwuWhxWk
Name (Trifluoroacetyl)penbutolol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.202128252 u
Formula C20H28F3NO3
InChI InChI=1S/C20H28F3NO3/c1-19(2,3)24-12-15(27-18(25)20(21,22)23)13-26-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,24H,4-5,8-9,12-13H2,1-3H3
InChIKey AGAZMBWJQZTEMM-UHFFFAOYSA-N
Molecular Weight 387.443 g/mol
SMILES C(C(OC(COC1=C(C2CCCC2)C=CC=C1)CNC(C)(C)C)=O)(F)(F)F