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Metoprolol N,o-bis-heptafluorobutyryl-

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Metoprolol N,o-bis-heptafluorobutyryl-
SpectraBase Compound ID Fzv0t0t60OZ
InChI InChI=1S/C23H23F14NO5/c1-12(2)38(16(39)18(24,25)20(28,29)22(32,33)34)10-15(11-42-14-6-4-13(5-7-14)8-9-41-3)43-17(40)19(26,27)21(30,31)23(35,36)37/h4-7,12,15H,8-11H2,1-3H3
InChIKey DMQKSVYESQFJJB-UHFFFAOYSA-N
Mol Weight 659.42 g/mol
Molecular Formula C23H23F14NO5
Exact Mass 659.135267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ci9KTOeXq2
Name Metoprolol N,o-bis-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 659.135267122 u
Formula C23H23F14NO5
InChI InChI=1S/C23H23F14NO5/c1-12(2)38(16(39)18(24,25)20(28,29)22(32,33)34)10-15(11-42-14-6-4-13(5-7-14)8-9-41-3)43-17(40)19(26,27)21(30,31)23(35,36)37/h4-7,12,15H,8-11H2,1-3H3
InChIKey DMQKSVYESQFJJB-UHFFFAOYSA-N
Molecular Weight 659.417 g/mol
SMILES C1=CC(OCC(OC(C(F)(C(F)(C(F)(F)F)F)F)=O)CN(C(C)C)C(=O)C(F)(C(C(F)(F)F)(F)F)F)=CC=C1CCOC