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L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, hexadecyl ester
SpectraBase Compound ID J0lHW73v3jQ
InChI InChI=1S/C31H55F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-42-28(40)26(24(5)8-3)37-27(39)25(23(4)7-2)38-29(41)30(32,33)31(34,35)36/h23-26H,6-22H2,1-5H3,(H,37,39)(H,38,41)
InChIKey OMDLHZHZFXQGIE-UHFFFAOYSA-N
Mol Weight 614.8 g/mol
Molecular Formula C31H55F5N2O4
Exact Mass 614.408199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyiDdur6Duj
Name L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.408199070 u
Formula C31H55F5N2O4
InChI InChI=1S/C31H55F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-42-28(40)26(24(5)8-3)37-27(39)25(23(4)7-2)38-29(41)30(32,33)31(34,35)36/h23-26H,6-22H2,1-5H3,(H,37,39)(H,38,41)
InChIKey OMDLHZHZFXQGIE-UHFFFAOYSA-N
Molecular Weight 614.783 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)CC)=O)C(C)CC)=O