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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, heptyl ester
SpectraBase Compound ID 14hx90YHRRM
InChI InChI=1S/C20H26F3NO3/c1-2-3-4-5-8-14-27-19(26)17-12-9-13-24(17)18(25)15-10-6-7-11-16(15)20(21,22)23/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3
InChIKey BBWPBWPDOIKFDB-UHFFFAOYSA-N
Mol Weight 385.43 g/mol
Molecular Formula C20H26F3NO3
Exact Mass 385.186478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJ0iY8E2dN1
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.186478187 u
Formula C20H26F3NO3
InChI InChI=1S/C20H26F3NO3/c1-2-3-4-5-8-14-27-19(26)17-12-9-13-24(17)18(25)15-10-6-7-11-16(15)20(21,22)23/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3
InChIKey BBWPBWPDOIKFDB-UHFFFAOYSA-N
Molecular Weight 385.427 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCC)=O)C(F)(F)F