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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID EWS1iULMISf
InChI InChI=1S/C21H27F4NO3/c1-2-3-4-5-6-7-11-29-20(28)18-9-8-10-26(18)19(27)15-12-16(21(23,24)25)14-17(22)13-15/h12-14,18H,2-11H2,1H3
InChIKey TZPZMNXVROJQDU-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C21H27F4NO3
Exact Mass 417.192706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73kPNvHstY6
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.192706382 u
Formula C21H27F4NO3
InChI InChI=1S/C21H27F4NO3/c1-2-3-4-5-6-7-11-29-20(28)18-9-8-10-26(18)19(27)15-12-16(21(23,24)25)14-17(22)13-15/h12-14,18H,2-11H2,1H3
InChIKey TZPZMNXVROJQDU-UHFFFAOYSA-N
Molecular Weight 417.445 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCC)=O)C(F)(F)F