SpectraBase Spectrum ID |
mwkJXoMd36 |
Name |
L-Valine, N-pentafluoropropionyl-, tetradecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
459.277184900 u |
Formula |
C22H38F5NO3 |
InChI |
InChI=1S/C22H38F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-19(29)18(17(2)3)28-20(30)21(23,24)22(25,26)27/h17-18H,4-16H2,1-3H3,(H,28,30) |
InChIKey |
YHZIQORKOBTBCB-UHFFFAOYSA-N |
Molecular Weight |
459.542 g/mol |
SMILES |
CCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O |