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Isonipecotic acid, N-pentafluorobenzoyl-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, decyl ester
SpectraBase Compound ID 3PQfXyotioe
InChI InChI=1S/C23H30F5NO3/c1-2-3-4-5-6-7-8-9-14-32-23(31)15-10-12-29(13-11-15)22(30)16-17(24)19(26)21(28)20(27)18(16)25/h15H,2-14H2,1H3
InChIKey BVURMDDPNWXNTH-UHFFFAOYSA-N
Mol Weight 463.49 g/mol
Molecular Formula C23H30F5NO3
Exact Mass 463.214585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3B98XWUZXBk
Name Isonipecotic acid, N-pentafluorobenzoyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.214584642 u
Formula C23H30F5NO3
InChI InChI=1S/C23H30F5NO3/c1-2-3-4-5-6-7-8-9-14-32-23(31)15-10-12-29(13-11-15)22(30)16-17(24)19(26)21(28)20(27)18(16)25/h15H,2-14H2,1H3
InChIKey BVURMDDPNWXNTH-UHFFFAOYSA-N
Molecular Weight 463.489 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O