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L-Valine, N-pentafluoropropionyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluoropropionyl-, decyl ester
SpectraBase Compound ID 8DuHsWrNBRg
InChI InChI=1S/C18H30F5NO3/c1-4-5-6-7-8-9-10-11-12-27-15(25)14(13(2)3)24-16(26)17(19,20)18(21,22)23/h13-14H,4-12H2,1-3H3,(H,24,26)
InChIKey CUQFTSBVZQBCFH-UHFFFAOYSA-N
Mol Weight 403.43 g/mol
Molecular Formula C18H30F5NO3
Exact Mass 403.214585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYV6UfJicA5
Name L-Valine, N-pentafluoropropionyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.214584642 u
Formula C18H30F5NO3
InChI InChI=1S/C18H30F5NO3/c1-4-5-6-7-8-9-10-11-12-27-15(25)14(13(2)3)24-16(26)17(19,20)18(21,22)23/h13-14H,4-12H2,1-3H3,(H,24,26)
InChIKey CUQFTSBVZQBCFH-UHFFFAOYSA-N
Molecular Weight 403.434 g/mol
SMILES CCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O