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

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L-Proline, N-(2-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID GVO9AyEKXZW
InChI InChI=1S/C21H28F3NO3/c1-2-3-4-5-6-9-15-28-20(27)18-13-10-14-25(18)19(26)16-11-7-8-12-17(16)21(22,23)24/h7-8,11-12,18H,2-6,9-10,13-15H2,1H3
InChIKey BOTYRFNNESKYCU-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 JClG7TSbqny
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.202128252 u
Formula C21H28F3NO3
InChI InChI=1S/C21H28F3NO3/c1-2-3-4-5-6-9-15-28-20(27)18-13-10-14-25(18)19(26)16-11-7-8-12-17(16)21(22,23)24/h7-8,11-12,18H,2-6,9-10,13-15H2,1H3
InChIKey BOTYRFNNESKYCU-UHFFFAOYSA-N
Molecular Weight 399.454 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCC)=O