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

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, octadecyl ester
SpectraBase Compound ID 3qR5TYXjGEW
InChI InChI=1S/C30H44F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-39-30(38)22-19-18-20-36(22)29(37)23-24(31)26(33)28(35)27(34)25(23)32/h22H,2-21H2,1H3
InChIKey KZXSXSOHQPHRGV-UHFFFAOYSA-N
Mol Weight 561.7 g/mol
Molecular Formula C30H44F5NO3
Exact Mass 561.324135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8W7AM2rT9U
Name L-Proline, N-(pentafluorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 561.324135093 u
Formula C30H44F5NO3
InChI InChI=1S/C30H44F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-39-30(38)22-19-18-20-36(22)29(37)23-24(31)26(33)28(35)27(34)25(23)32/h22H,2-21H2,1H3
InChIKey KZXSXSOHQPHRGV-UHFFFAOYSA-N
Molecular Weight 561.678 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O