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4-[3'-{(N'-trifluoroacetyl)-N'-isopropylamino}-2'-(trifluoroacetoxy)propoxy]-N-(trifluoroacetyl)acetyl-2-methylindole
SpectraBase Compound ID G2Q3aA26Yl4
InChI InChI=1S/C21H19F9N2O5/c1-10(2)31(16(33)19(22,23)24)8-12(37-18(35)21(28,29)30)9-36-15-6-4-5-14-13(15)7-11(3)32(14)17(34)20(25,26)27/h4-7,10,12H,8-9H2,1-3H3
InChIKey NVEQKSACTWSJPG-UHFFFAOYSA-N
Mol Weight 550.38 g/mol
Molecular Formula C21H19F9N2O5
Exact Mass 550.115025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsuKnZ2e1Nx
Name 4-[3'-{(N'-trifluoroacetyl)-N'-isopropylamino}-2'-(trifluoroacetoxy)propoxy]-N-(trifluoroacetyl)acetyl-2-methylindole
Alternate Name(s) 2-[isopropyl(trifluoroacetyl)amino]-1-({[2-methyl-1-(trifluoroacetyl)-1H-indol-4-yl]oxy}methyl)ethyl trifluoroacetate Tris(trifluoroacetyl)mepindolol derivative
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Formula C21H19F9N2O5
InChI InChI=1S/C21H19F9N2O5/c1-10(2)31(16(33)19(22,23)24)8-12(37-18(35)21(28,29)30)9-36-15-6-4-5-14-13(15)7-11(3)32(14)17(34)20(25,26)27/h4-7,10,12H,8-9H2,1-3H3
InChIKey NVEQKSACTWSJPG-UHFFFAOYSA-N
Molecular Weight 550.378 g/mol
SMILES c1([n](c2c(c1)c(ccc2)OCC(OC(C(F)(F)F)=O)CN(C(C(F)(F)F)=O)C(C)C)C(C(F)(F)F)=O)C
SPLASH splash10-0aor-0479010000-d57dd2ef6585533683e6
Source of Spectrum CJ-0-43-0
Wiley ID 1405642