| SpectraBase Spectrum ID |
Wepk8izvCo |
| Name |
Fumaric acid, hexadecyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.303224447 u |
| Formula |
C23H42O5 |
| InChI |
InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22(24)17-18-23(25)28-21-20-26-2/h17-18H,3-16,19-21H2,1-2H3/b18-17+ |
| InChIKey |
NMHZULAXQMKVAI-ISLYRVAYSA-N |
| Molecular Weight |
398.584 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(\C=C\C(OCCOC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942872 |
