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

View entire compound with spectra: 1 NMR

L-Proline, N-(3,4-difluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID 5IqYyOPiwKY
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-11-17-30-24(29)22-13-12-16-27(22)23(28)19-14-15-20(25)21(26)18-19/h14-15,18,22H,2-13,16-17H2,1H3
InChIKey BEXMDBIYWVVUII-UHFFFAOYSA-N
Mol Weight 423.5 g/mol
Molecular Formula C24H35F2NO3
Exact Mass 423.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lPeWcxNF4B
Name L-Proline, N-(3,4-difluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.258500314 u
Formula C24H35F2NO3
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-11-17-30-24(29)22-13-12-16-27(22)23(28)19-14-15-20(25)21(26)18-19/h14-15,18,22H,2-13,16-17H2,1H3
InChIKey BEXMDBIYWVVUII-UHFFFAOYSA-N
Molecular Weight 423.545 g/mol
SMILES C1(=CC(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)F