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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID LiO42pkthFO
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-11-15-33-24(32)22-13-12-14-30(22)23(31)19-16-20(25(27,28)29)18-21(26)17-19/h16-18,22H,2-15H2,1H3
InChIKey NLBRIIPRFXOLNB-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35F4NO3
Exact Mass 473.255307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSGfCpb1dqS
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 473.255306640 u
Formula C25H35F4NO3
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-11-15-33-24(32)22-13-12-14-30(22)23(31)19-16-20(25(27,28)29)18-21(26)17-19/h16-18,22H,2-15H2,1H3
InChIKey NLBRIIPRFXOLNB-UHFFFAOYSA-N
Molecular Weight 473.553 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)C(F)(F)F