| SpectraBase Spectrum ID |
3r0mxnMov8D |
| Name |
L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.345598812 u |
| Formula |
C27H47F5N2O4 |
| InChI |
InChI=1S/C27H47F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-38-24(36)22(20(5)8-3)33-23(35)21(19(4)7-2)34-25(37)26(28,29)27(30,31)32/h19-22H,6-18H2,1-5H3,(H,33,35)(H,34,37) |
| InChIKey |
AAQRVKXWQLSXSY-UHFFFAOYSA-N |
| Molecular Weight |
558.675 g/mol |
| SMILES |
C(C(C(NC(C(NC(C(CC)C)C(OCCCCCCCCCCCC)=O)=O)C(C)CC)=O)(F)F)(F)(F)F |
