SpectraBase Spectrum ID |
AW5g6DHGcOd |
Name |
Methoxyacetic acid, octadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
342.313395209 u |
Formula |
C21H42O3 |
InChI |
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(22)20-23-2/h3-20H2,1-2H3 |
InChIKey |
LEOOBGNLZILZIE-UHFFFAOYSA-N |
Molecular Weight |
342.564 g/mol |
SMILES |
COCC(OCCCCCCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963874 |