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

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, decyl ester
SpectraBase Compound ID GZ7A7QImqjP
InChI InChI=1S/C22H28F5NO3/c1-2-3-4-5-6-7-8-9-13-31-22(30)14-11-10-12-28(14)21(29)15-16(23)18(25)20(27)19(26)17(15)24/h14H,2-13H2,1H3
InChIKey RXOYYEPLXLHOQO-UHFFFAOYSA-N
Mol Weight 449.46 g/mol
Molecular Formula C22H28F5NO3
Exact Mass 449.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GmGRTFdNtM
Name L-Proline, N-(pentafluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.198934578 u
Formula C22H28F5NO3
InChI InChI=1S/C22H28F5NO3/c1-2-3-4-5-6-7-8-9-13-31-22(30)14-11-10-12-28(14)21(29)15-16(23)18(25)20(27)19(26)17(15)24/h14H,2-13H2,1H3
InChIKey RXOYYEPLXLHOQO-UHFFFAOYSA-N
Molecular Weight 449.462 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCC)=O