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L-Isoleucine, N-pentafluoropropionyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-pentafluoropropionyl-, pentadecyl ester
SpectraBase Compound ID 9Gyj6mv4VQQ
InChI InChI=1S/C24H42F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-33-21(31)20(19(3)5-2)30-22(32)23(25,26)24(27,28)29/h19-20H,4-18H2,1-3H3,(H,30,32)
InChIKey KHOLERYBJWHMLD-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C24H42F5NO3
Exact Mass 487.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKoKRoxac6H
Name L-Isoleucine, N-pentafluoropropionyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 487.308485028 u
Formula C24H42F5NO3
InChI InChI=1S/C24H42F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-33-21(31)20(19(3)5-2)30-22(32)23(25,26)24(27,28)29/h19-20H,4-18H2,1-3H3,(H,30,32)
InChIKey KHOLERYBJWHMLD-UHFFFAOYSA-N
Molecular Weight 487.596 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(CC)C)=O