SpectraBase Spectrum ID |
JxXxrgknHj4 |
Name |
Glycine, N-trifluoroacetyl-, octadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
423.296028638 u |
Formula |
C22H40F3NO3 |
InChI |
InChI=1S/C22H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-20(27)19-26-21(28)22(23,24)25/h2-19H2,1H3,(H,26,28) |
InChIKey |
CDBHNQMXMBYVAN-UHFFFAOYSA-N |
Molecular Weight |
423.561 g/mol |
SMILES |
CCCCCCCCCCCCCCCCCCOC(CNC(C(F)(F)F)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928475 |