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L-Isoleucine, N-pentafluoropropionyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-pentafluoropropionyl-, heptadecyl ester
SpectraBase Compound ID DHJigJEOw6O
InChI InChI=1S/C26H46F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-23(33)22(21(3)5-2)32-24(34)25(27,28)26(29,30)31/h21-22H,4-20H2,1-3H3,(H,32,34)
InChIKey PTDFUKZESFXECJ-UHFFFAOYSA-N
Mol Weight 515.7 g/mol
Molecular Formula C26H46F5NO3
Exact Mass 515.339785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EniQWrfrG4Z
Name L-Isoleucine, N-pentafluoropropionyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 515.339785157 u
Formula C26H46F5NO3
InChI InChI=1S/C26H46F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-23(33)22(21(3)5-2)32-24(34)25(27,28)26(29,30)31/h21-22H,4-20H2,1-3H3,(H,32,34)
InChIKey PTDFUKZESFXECJ-UHFFFAOYSA-N
Molecular Weight 515.650 g/mol
SMILES CCC(C)C(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCCCCCCCCCC)=O