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L-Prolyl-L-proline, N-pentafluoropropionyl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Prolyl-L-proline, N-pentafluoropropionyl-, isohexyl ester
SpectraBase Compound ID GOTgb1GV9Hf
InChI InChI=1S/C19H27F5N2O4/c1-12(2)6-5-11-30-16(28)14-8-4-9-25(14)15(27)13-7-3-10-26(13)17(29)18(20,21)19(22,23)24/h12-14H,3-11H2,1-2H3
InChIKey NCBVVBZPTQNXHD-UHFFFAOYSA-N
Mol Weight 442.43 g/mol
Molecular Formula C19H27F5N2O4
Exact Mass 442.189098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8EC2eadCGe
Name L-Prolyl-L-proline, N-pentafluoropropionyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.189098168 u
Formula C19H27F5N2O4
InChI InChI=1S/C19H27F5N2O4/c1-12(2)6-5-11-30-16(28)14-8-4-9-25(14)15(27)13-7-3-10-26(13)17(29)18(20,21)19(22,23)24/h12-14H,3-11H2,1-2H3
InChIKey NCBVVBZPTQNXHD-UHFFFAOYSA-N
Molecular Weight 442.427 g/mol
SMILES CC(C)CCCOC(C1N(C(C2N(C(C(C(F)(F)F)(F)F)=O)CCC2)=O)CCC1)=O