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L-Isoleucine, N-heptafluorobutyryl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-heptafluorobutyryl-, nonyl ester
SpectraBase Compound ID GA5Tv4c5C3i
InChI InChI=1S/C19H30F7NO3/c1-4-6-7-8-9-10-11-12-30-15(28)14(13(3)5-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)
InChIKey SPLZTJSKVYXGAK-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C19H30F7NO3
Exact Mass 453.211391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqvHpY2uMV7
Name L-Isoleucine, N-heptafluorobutyryl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.211390968 u
Formula C19H30F7NO3
InChI InChI=1S/C19H30F7NO3/c1-4-6-7-8-9-10-11-12-30-15(28)14(13(3)5-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)
InChIKey SPLZTJSKVYXGAK-UHFFFAOYSA-N
Molecular Weight 453.442 g/mol
SMILES CCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CC)C)=O