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Fendiline, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

Fendiline, N-heptafluorobutyryl-
SpectraBase Compound ID FbllPSihaqu
InChI InChI=1S/C27H24F7NO/c1-19(20-11-5-2-6-12-20)35(24(36)25(28,29)26(30,31)27(32,33)34)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 PXOULTUXWIVRHG-UHFFFAOYSA-N
Mol Weight 511.48 g/mol
Molecular Formula C27H24F7NO
Exact Mass 511.174612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94vxvoVY5zG
Name Fendiline, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 511.174611537 u
Formula C27H24F7NO
InChI InChI=1S/C27H24F7NO/c1-19(20-11-5-2-6-12-20)35(24(36)25(28,29)26(30,31)27(32,33)34)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 PXOULTUXWIVRHG-UHFFFAOYSA-N
Molecular Weight 511.484 g/mol
SMILES C1(=CC=CC=C1)C(N(C(=O)C(C(F)(C(F)(F)F)F)(F)F)CCC(C1=CC=CC=C1)C1=CC=CC=C1)C