| SpectraBase Spectrum ID |
JjpCHQCMGnZ |
| Name |
L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.329948748 u |
| Formula |
C26H45F5N2O4 |
| InChI |
InChI=1S/C26H45F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-37-23(35)21(19(5)8-3)32-22(34)20(18(4)7-2)33-24(36)25(27,28)26(29,30)31/h18-21H,6-17H2,1-5H3,(H,32,34)(H,33,36) |
| InChIKey |
LSBGAJJUJGPTOB-UHFFFAOYSA-N |
| Molecular Weight |
544.648 g/mol |
| SMILES |
C(C(C(C(NC(C(OCCCCCCCCCCC)=O)C(C)CC)=O)NC(C(C(F)(F)F)(F)F)=O)C)C |
