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N,O-bis(trifluoroacetyl)atenolol
SpectraBase Compound ID 1ZaI46dDGFm
InChI InChI=1S/C18H20F6N2O5/c1-10(2)25-8-13(31-16(29)18(22,23)24)9-30-12-5-3-11(4-6-12)7-14(27)26-15(28)17(19,20)21/h3-6,10,13,25H,7-9H2,1-2H3,(H,26,27,28)
InChIKey QLPZQXUFZJIOAS-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C18H20F6N2O5
Exact Mass 458.127641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7vYVyZ2YD3
Name N,O-bis(trifluoroacetyl)atenolol
Alternate Name(s) 2-(isopropylamino)-1-[(4-{2-oxo-2-[(trifluoroacetyl)amino]ethyl}phenoxy)methyl]ethyl trifluoroacetate
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Formula C18H20F6N2O5
InChI InChI=1S/C18H20F6N2O5/c1-10(2)25-8-13(31-16(29)18(22,23)24)9-30-12-5-3-11(4-6-12)7-14(27)26-15(28)17(19,20)21/h3-6,10,13,25H,7-9H2,1-2H3,(H,26,27,28)
InChIKey QLPZQXUFZJIOAS-UHFFFAOYSA-N
Molecular Weight 458.357 g/mol
SMILES N(C(C(F)(F)F)=O)C(Cc1ccc(OCC(CNC(C)C)OC(C(F)(F)F)=O)cc1)=O
SPLASH splash10-0aor-0149000000-5610169295c14571d334
Source of Spectrum JC-488-364-0
Wiley ID 1389741