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L-Valine, N-heptafluorobutyryl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-heptafluorobutyryl-, nonyl ester
SpectraBase Compound ID 4LuH93Gg89U
InChI InChI=1S/C18H28F7NO3/c1-4-5-6-7-8-9-10-11-29-14(27)13(12(2)3)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
InChIKey MZBIKFHJDOTOOB-UHFFFAOYSA-N
Mol Weight 439.41 g/mol
Molecular Formula C18H28F7NO3
Exact Mass 439.195741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56uimfFGqjT
Name L-Valine, N-heptafluorobutyryl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.195740904 u
Formula C18H28F7NO3
InChI InChI=1S/C18H28F7NO3/c1-4-5-6-7-8-9-10-11-29-14(27)13(12(2)3)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
InChIKey MZBIKFHJDOTOOB-UHFFFAOYSA-N
Molecular Weight 439.415 g/mol
SMILES C(CCCCCCCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)C