For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Tris-TFA derivative of 4-hydroxypropranolol

View entire compound with spectra: 1 MS (GC)

Tris-TFA derivative of 4-hydroxypropranolol
SpectraBase Compound ID 65gF4FFPm1m
InChI InChI=1S/C22H18F9NO6/c1-11(2)32(17(33)20(23,24)25)9-12(37-18(34)21(26,27)28)10-36-15-7-8-16(38-19(35)22(29,30)31)14-6-4-3-5-13(14)15/h3-8,11-12H,9-10H2,1-2H3
InChIKey JLPBHXMEPSIKFM-UHFFFAOYSA-N
Mol Weight 563.37 g/mol
Molecular Formula C22H18F9NO6
Exact Mass 563.099041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2DzhVczkcNL
Name Tris-TFA derivative of 4-hydroxypropranolol
Alternate Name(s) 2-[isopropyl(trifluoroacetyl)amino]-1-[({4-[(trifluoroacetyl)oxy]-1-naphthyl}oxy)methyl]ethyl trifluoroacetate 4-Hydroxypropranolol-tris(trifluoroacetyl) derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F9NO6
InChI InChI=1S/C22H18F9NO6/c1-11(2)32(17(33)20(23,24)25)9-12(37-18(34)21(26,27)28)10-36-15-7-8-16(38-19(35)22(29,30)31)14-6-4-3-5-13(14)15/h3-8,11-12H,9-10H2,1-2H3
InChIKey JLPBHXMEPSIKFM-UHFFFAOYSA-N
Molecular Weight 563.373 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1c2c(cccc2)c(cc1)OC(C(F)(F)F)=O)C(C)C)=O
SPLASH splash10-0aor-0069000000-057973250d1190924a58
Source of Spectrum D3-1980-677-20
Wiley ID 1407012