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Fendiline, N-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

Fendiline, N-pentafluoropropionyl-
SpectraBase Compound ID 8z5Moui9TYF
InChI InChI=1S/C26H24F5NO/c1-19(20-11-5-2-6-12-20)32(24(33)25(27,28)26(29,30)31)18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3
InChIKey LUDAPRONXUJPMC-UHFFFAOYSA-N
Mol Weight 461.48 g/mol
Molecular Formula C26H24F5NO
Exact Mass 461.177805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzuBiCtWryv
Name Fendiline, N-pentafluoropropionyl-
Comments Computed using HOSE algorithm
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Exact Mass 461.177805211 u
Formula C26H24F5NO
InChI InChI=1S/C26H24F5NO/c1-19(20-11-5-2-6-12-20)32(24(33)25(27,28)26(29,30)31)18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3
InChIKey LUDAPRONXUJPMC-UHFFFAOYSA-N
Molecular Weight 461.476 g/mol
SMILES C1(=CC=CC=C1)C(C)N(C(=O)C(C(F)(F)F)(F)F)CCC(C1=CC=CC=C1)C1=CC=CC=C1