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Esmolol 2TFA
SpectraBase Compound ID 1KHo9W60KNc
InChI InChI=1S/C20H23F6NO6/c1-12(2)27(17(29)19(21,22)23)10-15(33-18(30)20(24,25)26)11-32-14-7-4-13(5-8-14)6-9-16(28)31-3/h4-5,7-8,12,15H,6,9-11H2,1-3H3
InChIKey OCMVYTWCVXWFDH-UHFFFAOYSA-N
Mol Weight 487.4 g/mol
Molecular Formula C20H23F6NO6
Exact Mass 487.142956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRbEWog9md1
Name Methyl 3-{p-[3'-(N-acetyl-N-isopropylamino)-2'-(trifluoroacetoxy)propoxyphenyl}propanoate
Alternate Name(s) Bis(trifluoroacetyl)esmolol Methyl 3-(4-{3-[isopropyl(trifluoroacetyl)amino]-2-[(trifluoroacetyl)oxy]propoxy}phenyl)propanoate
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Formula C20H23F6NO6
InChI InChI=1S/C20H23F6NO6/c1-12(2)27(17(29)19(21,22)23)10-15(33-18(30)20(24,25)26)11-32-14-7-4-13(5-8-14)6-9-16(28)31-3/h4-5,7-8,12,15H,6,9-11H2,1-3H3
InChIKey OCMVYTWCVXWFDH-UHFFFAOYSA-N
Molecular Weight 487.395 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1ccc(cc1)CCC(=O)OC)C(C)C)=O
SPLASH splash10-066r-0396000000-614b1a5cb5eed300d317
Source of Spectrum CJ-0-34-0
Wiley ID 1396666