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

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID HyO43mPvgEm
InChI InChI=1S/C27H38F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-36-27(35)19-16-15-17-33(19)26(34)20-21(28)23(30)25(32)24(31)22(20)29/h19H,2-18H2,1H3
InChIKey LFYLUEWEORULMR-UHFFFAOYSA-N
Mol Weight 519.6 g/mol
Molecular Formula C27H38F5NO3
Exact Mass 519.277185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZFFF42BZYe
Name L-Proline, N-(pentafluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 519.277184900 u
Formula C27H38F5NO3
InChI InChI=1S/C27H38F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-36-27(35)19-16-15-17-33(19)26(34)20-21(28)23(30)25(32)24(31)22(20)29/h19H,2-18H2,1H3
InChIKey LFYLUEWEORULMR-UHFFFAOYSA-N
Molecular Weight 519.597 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O