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L-Proline, N-(2,4-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID F38KwuNlf24
InChI InChI=1S/C22H31F2NO3/c1-2-3-4-5-6-7-8-9-15-28-22(27)20-11-10-14-25(20)21(26)18-13-12-17(23)16-19(18)24/h12-13,16,20H,2-11,14-15H2,1H3
InChIKey SJWDOPAGCQQTLD-UHFFFAOYSA-N
Mol Weight 395.49 g/mol
Molecular Formula C22H31F2NO3
Exact Mass 395.2272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GnElUSOJafh
Name L-Proline, N-(2,4-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.227200185 u
Formula C22H31F2NO3
InChI InChI=1S/C22H31F2NO3/c1-2-3-4-5-6-7-8-9-15-28-22(27)20-11-10-14-25(20)21(26)18-13-12-17(23)16-19(18)24/h12-13,16,20H,2-11,14-15H2,1H3
InChIKey SJWDOPAGCQQTLD-UHFFFAOYSA-N
Molecular Weight 395.491 g/mol
SMILES C1=C(C(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCC)=O)F