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1-(4-(2-methoxyethyl)phenoxy)-2-(trifluoroacetoxy)-3-(N-(trifluoroacetyl)-N-isopropylamino)propane

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1-(4-(2-methoxyethyl)phenoxy)-2-(trifluoroacetoxy)-3-(N-(trifluoroacetyl)-N-isopropylamino)propane
SpectraBase Compound ID IYlJEpn47KK
InChI InChI=1S/C19H23F6NO5/c1-12(2)26(16(27)18(20,21)22)10-15(31-17(28)19(23,24)25)11-30-14-6-4-13(5-7-14)8-9-29-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey XBLAGKJMNPXAPT-UHFFFAOYSA-N
Mol Weight 459.39 g/mol
Molecular Formula C19H23F6NO5
Exact Mass 459.148042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0TeKtwj7P7
Name Metoprolol N,o-bis-trifluoroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.148041818 u
Formula C19H23F6NO5
InChI InChI=1S/C19H23F6NO5/c1-12(2)26(16(27)18(20,21)22)10-15(31-17(28)19(23,24)25)11-30-14-6-4-13(5-7-14)8-9-29-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey XBLAGKJMNPXAPT-UHFFFAOYSA-N
Molecular Weight 459.385 g/mol
SMILES C1=CC(OCC(OC(C(F)(F)F)=O)CN(C(C(F)(F)F)=O)C(C)C)=CC=C1CCOC