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4-[3'-{N'-(trifluoroacetyl)-N'-isopropylamino-2'-(trifluoroacetoxy)propoxy]-1-[(2'-(isopropoxy)ethoxy] methylbenzene
SpectraBase Compound ID Io0aa3X312v
InChI InChI=1S/C22H29F6NO6/c1-14(2)29(19(30)21(23,24)25)11-18(35-20(31)22(26,27)28)13-34-17-7-5-16(6-8-17)12-32-9-10-33-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3
InChIKey DOYNXPDZPVPESN-UHFFFAOYSA-N
Mol Weight 517.47 g/mol
Molecular Formula C22H29F6NO6
Exact Mass 517.189907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0chVmvoo5V
Name 4-[3'-{N'-(trifluoroacetyl)-N'-isopropylamino-2'-(trifluoroacetoxy)propoxy]-1-[(2'-(isopropoxy)ethoxy] methylbenzene
Alternate Name(s) N,O-bis(trifluoroacetyl)bisoprolol 2-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-1-{[isopropyl(trifluoroacetyl)amino]methyl}ethyl trifluoroacetate 4-[3'-{N'-(trifluoroacetyl)-N'-isopropylamino-2'-(trifluoroacetoxy)propoxy]-1-[(2'-(isopropoxy)ethoxy]methylbenzene Bis(trifluoroacetyl)-bisoprolol derivative 2,2,2-trifluoroacetic acid [1-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]-3-[propan-2-yl-(2,2,2-trifluoro-1-oxoethyl)amino]propan-2-yl] ester [1-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]-3-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate [1-[[4-(2-isopropoxyethoxymethyl)phenoxy]methyl]-2-[isopropyl-(2,2,2-trifluoroacetyl)amino]ethyl] 2,2,2-trifluoroacetate [1-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]-3-[propan-2-yl-[2,2,2-tris(fluoranyl)ethanoyl]amino]propan-2-yl] 2,2,2-tris(fluoranyl)ethanoate
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Formula C22H29F6NO6
InChI InChI=1S/C22H29F6NO6/c1-14(2)29(19(30)21(23,24)25)11-18(35-20(31)22(26,27)28)13-34-17-7-5-16(6-8-17)12-32-9-10-33-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3
InChIKey DOYNXPDZPVPESN-UHFFFAOYSA-N
Molecular Weight 517.465 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1ccc(cc1)COCCOC(C)C)C(C)C)=O
SPLASH splash10-0aor-0189000000-b676e0478d62be817dba
Source of Spectrum CJ-0-49-0
Wiley ID 1401531