SpectraBase Spectrum ID |
55uEeX74RG3 |
Name |
L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
481.336750636 u |
Formula |
C28H45F2NO3 |
InChI |
InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(22(2)3)31-27(32)24-21-23(29)18-19-25(24)30/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,31,32) |
InChIKey |
OFUBUXUXPQLTGJ-UHFFFAOYSA-N |
Molecular Weight |
481.669 g/mol |
SMILES |
C1=CC(=C(C=C1F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F |