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Oxprenolol, N,o-bis-heptafluorobutyryl-

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Oxprenolol, N,o-bis-heptafluorobutyryl-
SpectraBase Compound ID Azb97bA5lSW
InChI InChI=1S/C23H21F14NO5/c1-4-9-41-14-7-5-6-8-15(14)42-11-13(43-17(40)19(26,27)21(30,31)23(35,36)37)10-38(12(2)3)16(39)18(24,25)20(28,29)22(32,33)34/h4-8,12-13H,1,9-11H2,2-3H3
InChIKey OWXCBXKOPFHYPP-UHFFFAOYSA-N
Mol Weight 657.4 g/mol
Molecular Formula C23H21F14NO5
Exact Mass 657.119617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCFqzuh182J
Name Oxprenolol, N,o-bis-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 657.119617057 u
Formula C23H21F14NO5
InChI InChI=1S/C23H21F14NO5/c1-4-9-41-14-7-5-6-8-15(14)42-11-13(43-17(40)19(26,27)21(30,31)23(35,36)37)10-38(12(2)3)16(39)18(24,25)20(28,29)22(32,33)34/h4-8,12-13H,1,9-11H2,2-3H3
InChIKey OWXCBXKOPFHYPP-UHFFFAOYSA-N
Molecular Weight 657.401 g/mol
SMILES C1(OCC(CN(C(C)C)C(=O)C(F)(C(C(F)(F)F)(F)F)F)OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=CC=CC=C1OCC=C