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L-Proline, N-(2,4-difluorobenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2,4-difluorobenzoyl)-, isohexyl ester
SpectraBase Compound ID GQlLfmi1A2T
InChI InChI=1S/C18H23F2NO3/c1-12(2)5-4-10-24-18(23)16-6-3-9-21(16)17(22)14-8-7-13(19)11-15(14)20/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKey FFEVRPBECZKNND-UHFFFAOYSA-N
Mol Weight 339.38 g/mol
Molecular Formula C18H23F2NO3
Exact Mass 339.1646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyiENkn3kOn
Name L-Proline, N-(2,4-difluorobenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.164599928 u
Formula C18H23F2NO3
InChI InChI=1S/C18H23F2NO3/c1-12(2)5-4-10-24-18(23)16-6-3-9-21(16)17(22)14-8-7-13(19)11-15(14)20/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKey FFEVRPBECZKNND-UHFFFAOYSA-N
Molecular Weight 339.383 g/mol
SMILES C1=C(C(=CC=C1F)C(N1CCCC1C(OCCCC(C)C)=O)=O)F