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L-Proline, N-(3,4-difluorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3,4-difluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID 8MWM2p5ORnz
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-28(33)26-17-16-20-31(26)27(32)23-18-19-24(29)25(30)22-23/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey ATAVCKHDSCERIR-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C28H43F2NO3
Exact Mass 479.321101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ6vb9MybNn
Name L-Proline, N-(3,4-difluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.321100572 u
Formula C28H43F2NO3
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-28(33)26-17-16-20-31(26)27(32)23-18-19-24(29)25(30)22-23/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey ATAVCKHDSCERIR-UHFFFAOYSA-N
Molecular Weight 479.653 g/mol
SMILES C1(=CC(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)F