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

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, isohexyl ester
SpectraBase Compound ID 7b1Srt03IuU
InChI InChI=1S/C18H20F5NO3/c1-9(2)5-4-8-27-18(26)10-6-3-7-24(10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h9-10H,3-8H2,1-2H3
InChIKey RWZNQKYITBGJCG-UHFFFAOYSA-N
Mol Weight 393.35 g/mol
Molecular Formula C18H20F5NO3
Exact Mass 393.136334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwBV174Plfw
Name L-Proline, N-(pentafluorobenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.136334320 u
Formula C18H20F5NO3
InChI InChI=1S/C18H20F5NO3/c1-9(2)5-4-8-27-18(26)10-6-3-7-24(10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h9-10H,3-8H2,1-2H3
InChIKey RWZNQKYITBGJCG-UHFFFAOYSA-N
Molecular Weight 393.354 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(OCCCC(C)C)=O)=O