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Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 2z0h4ir4iJf
InChI InChI=1S/C26H38F3NO3/c1-2-3-4-5-6-7-8-9-10-13-20-33-25(32)21-16-18-30(19-17-21)24(31)22-14-11-12-15-23(22)26(27,28)29/h11-12,14-15,21H,2-10,13,16-20H2,1H3
InChIKey KYAQKXSWEWDNAJ-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H38F3NO3
Exact Mass 469.280379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3TjEdDtyNd
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.280378574 u
Formula C26H38F3NO3
InChI InChI=1S/C26H38F3NO3/c1-2-3-4-5-6-7-8-9-10-13-20-33-25(32)21-16-18-30(19-17-21)24(31)22-14-11-12-15-23(22)26(27,28)29/h11-12,14-15,21H,2-10,13,16-20H2,1H3
InChIKey KYAQKXSWEWDNAJ-UHFFFAOYSA-N
Molecular Weight 469.589 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O