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

*Links on SpectraBase are not permalinks.

Isoxsuprine N,o,o'- tris-trifluoroacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Isoxsuprine N,o,o'- tris-trifluoroacetyl-
SpectraBase Compound ID 5m4XxtxVFYT
InChI InChI=1S/C24H20F9NO6/c1-13(12-38-16-6-4-3-5-7-16)34(19(35)22(25,26)27)14(2)18(40-21(37)24(31,32)33)15-8-10-17(11-9-15)39-20(36)23(28,29)30/h3-11,13-14,18H,12H2,1-2H3
InChIKey KWDQGGRVPMBFJL-UHFFFAOYSA-N
Mol Weight 589.41 g/mol
Molecular Formula C24H20F9NO6
Exact Mass 589.114691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ce3lJZnsiKp
Name Isoxsuprine N,o,o'- tris-trifluoroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 589.114690829 u
Formula C24H20F9NO6
InChI InChI=1S/C24H20F9NO6/c1-13(12-38-16-6-4-3-5-7-16)34(19(35)22(25,26)27)14(2)18(40-21(37)24(31,32)33)15-8-10-17(11-9-15)39-20(36)23(28,29)30/h3-11,13-14,18H,12H2,1-2H3
InChIKey KWDQGGRVPMBFJL-UHFFFAOYSA-N
Molecular Weight 589.411 g/mol
SMILES C1(OCC(N(C(C)C(OC(C(F)(F)F)=O)C2=CC=C(C=C2)OC(=O)C(F)(F)F)C(C(F)(F)F)=O)C)=CC=CC=C1