For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, heptadecyl ester
SpectraBase Compound ID GmAgSHJBUet
InChI InChI=1S/C32H57F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43-29(41)27(25(5)8-3)38-28(40)26(24(4)7-2)39-30(42)31(33,34)32(35,36)37/h24-27H,6-23H2,1-5H3,(H,38,40)(H,39,42)
InChIKey VLPWGVMNKMVDGK-UHFFFAOYSA-N
Mol Weight 628.8 g/mol
Molecular Formula C32H57F5N2O4
Exact Mass 628.423849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4snbX2C3In3
Name L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 628.423849134 u
Formula C32H57F5N2O4
InChI InChI=1S/C32H57F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43-29(41)27(25(5)8-3)38-28(40)26(24(4)7-2)39-30(42)31(33,34)32(35,36)37/h24-27H,6-23H2,1-5H3,(H,38,40)(H,39,42)
InChIKey VLPWGVMNKMVDGK-UHFFFAOYSA-N
Molecular Weight 628.810 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)CC)=O)C(C)CC)=O