SpectraBase Spectrum ID |
60N7ONA5nQX |
Name |
L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
531.333556962 u |
Formula |
C29H45F4NO3 |
InChI |
InChI=1S/C29H45F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-28(36)26(22(2)3)34-27(35)24-21-23(29(31,32)33)18-19-25(24)30/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,34,35) |
InChIKey |
MSWRXUWPVBTZOG-UHFFFAOYSA-N |
Molecular Weight |
531.677 g/mol |
SMILES |
C(C1=CC=C(C(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F)(F)(F)F |