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L-Valine, N-heptafluorobutyryl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-heptafluorobutyryl-, isohexyl ester
SpectraBase Compound ID 2jQgjWbFWxH
InChI InChI=1S/C15H22F7NO3/c1-8(2)6-5-7-26-11(24)10(9(3)4)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)
InChIKey ZAMRNBRCTJEGMS-UHFFFAOYSA-N
Mol Weight 397.33 g/mol
Molecular Formula C15H22F7NO3
Exact Mass 397.148791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDE8H9wUMHz
Name L-Valine, N-heptafluorobutyryl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.148790710 u
Formula C15H22F7NO3
InChI InChI=1S/C15H22F7NO3/c1-8(2)6-5-7-26-11(24)10(9(3)4)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)
InChIKey ZAMRNBRCTJEGMS-UHFFFAOYSA-N
Molecular Weight 397.334 g/mol
SMILES CC(C)CCCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O