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L-Proline, N-(pentafluorobenzoyl)-, heptyl ester
SpectraBase Compound ID CLn9XIJ9A6R
InChI InChI=1S/C19H22F5NO3/c1-2-3-4-5-6-10-28-19(27)11-8-7-9-25(11)18(26)12-13(20)15(22)17(24)16(23)14(12)21/h11H,2-10H2,1H3
InChIKey XKXZQUYCDOASGJ-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C19H22F5NO3
Exact Mass 407.151984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVQFYMaVHud
Name L-Proline, N-(pentafluorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.151984384 u
Formula C19H22F5NO3
InChI InChI=1S/C19H22F5NO3/c1-2-3-4-5-6-10-28-19(27)11-8-7-9-25(11)18(26)12-13(20)15(22)17(24)16(23)14(12)21/h11H,2-10H2,1H3
InChIKey XKXZQUYCDOASGJ-UHFFFAOYSA-N
Molecular Weight 407.381 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)C(N1CCCC1C(OCCCCCCC)=O)=O)F