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L-Proline, N-(pentafluorobenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, octyl ester
SpectraBase Compound ID FnxmGxpcMDA
InChI InChI=1S/C20H24F5NO3/c1-2-3-4-5-6-7-11-29-20(28)12-9-8-10-26(12)19(27)13-14(21)16(23)18(25)17(24)15(13)22/h12H,2-11H2,1H3
InChIKey HCUWTCVZFRZQFR-UHFFFAOYSA-N
Mol Weight 421.41 g/mol
Molecular Formula C20H24F5NO3
Exact Mass 421.167634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjD5uPP3yAg
Name L-Proline, N-(pentafluorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.167634449 u
Formula C20H24F5NO3
InChI InChI=1S/C20H24F5NO3/c1-2-3-4-5-6-7-11-29-20(28)12-9-8-10-26(12)19(27)13-14(21)16(23)18(25)17(24)15(13)22/h12H,2-11H2,1H3
InChIKey HCUWTCVZFRZQFR-UHFFFAOYSA-N
Molecular Weight 421.408 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCC)=O