SpectraBase Spectrum ID |
Cz1MMWjT8q0 |
Name |
D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
517.317906898 u |
Formula |
C28H43F4NO3 |
InChI |
InChI=1S/C28H43F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-27(35)22(2)33-26(34)23-19-18-20-24(25(23)29)28(30,31)32/h18-20,22H,3-17,21H2,1-2H3,(H,33,34) |
InChIKey |
FATOEHOLHVNEBA-UHFFFAOYSA-N |
Molecular Weight |
517.650 g/mol |
SMILES |
CC(NC(=O)C1=C(C(C(F)(F)F)=CC=C1)F)C(OCCCCCCCCCCCCCCCCC)=O |