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L-Proline, N-(3-trifluoromethylbenzoyl)-, octyl ester

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L-Proline, N-(3-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID ISdq6o9i9d0
InChI InChI=1S/C21H28F3NO3/c1-2-3-4-5-6-7-14-28-20(27)18-12-9-13-25(18)19(26)16-10-8-11-17(15-16)21(22,23)24/h8,10-11,15,18H,2-7,9,12-14H2,1H3
InChIKey GPYCYFHBOULFGH-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C21H28F3NO3
Exact Mass 399.202128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADgKmPagMkh
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.202128252 u
Formula C21H28F3NO3
InChI InChI=1S/C21H28F3NO3/c1-2-3-4-5-6-7-14-28-20(27)18-12-9-13-25(18)19(26)16-10-8-11-17(15-16)21(22,23)24/h8,10-11,15,18H,2-7,9,12-14H2,1H3
InChIKey GPYCYFHBOULFGH-UHFFFAOYSA-N
Molecular Weight 399.454 g/mol
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCCC)=O)C(F)(F)F