| SpectraBase Spectrum ID |
9KsCM06zRWi |
| Name |
L-Leucine, N-(trifluoroacetyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.358628896 u |
| Formula |
C26H48F3NO3 |
| InChI |
InChI=1S/C26H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-24(31)23(21-22(2)3)30-25(32)26(27,28)29/h22-23H,4-21H2,1-3H3,(H,30,32) |
| InChIKey |
WOAAOJRKWHKNDH-UHFFFAOYSA-N |
| Molecular Weight |
479.669 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848574 |
