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1-[4'-{2-cyclopropylmethoxy)ethyl}phenoxy]-3-[(N-trifluoroacetyl)isopropylamino]-2-(trifluoroacetoxy)propane
SpectraBase Compound ID C1Fc4DorUnd
InChI InChI=1S/C22H27F6NO5/c1-14(2)29(19(30)21(23,24)25)11-18(34-20(31)22(26,27)28)13-33-17-7-5-15(6-8-17)9-10-32-12-16-3-4-16/h5-8,14,16,18H,3-4,9-13H2,1-2H3
InChIKey OMBJIQAXISHTHV-UHFFFAOYSA-N
Mol Weight 499.45 g/mol
Molecular Formula C22H27F6NO5
Exact Mass 499.179342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6x69B7exXwP
Name 1-[4'-{2-cyclopropylmethoxy)ethyl}phenoxy]-3-[(N-trifluoroacetyl)isopropylamino]-2-(trifluoroacetoxy)propane
Alternate Name(s) N,O-bis(trifluoroacetyl)betaxolol 2-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-1-{[isopropyl(trifluoroacetyl)amino]methyl}ethyl trifluoroacetate Bis(trifluoroacetyl)-betaxolol derivative
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Formula C22H27F6NO5
InChI InChI=1S/C22H27F6NO5/c1-14(2)29(19(30)21(23,24)25)11-18(34-20(31)22(26,27)28)13-33-17-7-5-15(6-8-17)9-10-32-12-16-3-4-16/h5-8,14,16,18H,3-4,9-13H2,1-2H3
InChIKey OMBJIQAXISHTHV-UHFFFAOYSA-N
Molecular Weight 499.450 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1ccc(CCOCC2CC2)cc1)C(C)C)=O
SPLASH splash10-0aor-0049000000-14dfa1ce972735153a90
Source of Spectrum CJ-0-50-0
Wiley ID 1398699