| SpectraBase Spectrum ID |
DdkGkLEJz0r |
| Name |
L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, tetradecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
586.376898941 u |
| Formula |
C29H51F5N2O4 |
| InChI |
InChI=1S/C29H51F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-40-26(38)24(22(5)8-3)35-25(37)23(21(4)7-2)36-27(39)28(30,31)29(32,33)34/h21-24H,6-20H2,1-5H3,(H,35,37)(H,36,39) |
| InChIKey |
XDQDKWRADYPEIX-UHFFFAOYSA-N |
| Molecular Weight |
586.729 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)CC)=O)C(CC)C)=O |
