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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester
SpectraBase Compound ID Cwcat9e1rQ8
InChI InChI=1S/C19H23F4NO3/c1-12(2)6-5-11-27-18(26)15-9-4-10-24(15)17(25)13-7-3-8-14(16(13)20)19(21,22)23/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKey PHNAXRYMBOMTLN-UHFFFAOYSA-N
Mol Weight 389.39 g/mol
Molecular Formula C19H23F4NO3
Exact Mass 389.161406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uUo3FOPLGW
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.161406254 u
Formula C19H23F4NO3
InChI InChI=1S/C19H23F4NO3/c1-12(2)6-5-11-27-18(26)15-9-4-10-24(15)17(25)13-7-3-8-14(16(13)20)19(21,22)23/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKey PHNAXRYMBOMTLN-UHFFFAOYSA-N
Molecular Weight 389.391 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCC(C)C)=O