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L-Proline, N-(2-trifluoromethylbenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, isohexyl ester
SpectraBase Compound ID 8kUgfKIgvh8
InChI InChI=1S/C19H24F3NO3/c1-13(2)7-6-12-26-18(25)16-10-5-11-23(16)17(24)14-8-3-4-9-15(14)19(20,21)22/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3
InChIKey CKERCIVTKOLEEX-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C19H24F3NO3
Exact Mass 371.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xrunq0clA8
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.170828123 u
Formula C19H24F3NO3
InChI InChI=1S/C19H24F3NO3/c1-13(2)7-6-12-26-18(25)16-10-5-11-23(16)17(24)14-8-3-4-9-15(14)19(20,21)22/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3
InChIKey CKERCIVTKOLEEX-UHFFFAOYSA-N
Molecular Weight 371.400 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)C(N1CCCC1C(OCCCC(C)C)=O)=O