| SpectraBase Spectrum ID |
86scoBqg7Dh |
| Name |
Fumaric acid, hexyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.146723803 u |
| Formula |
C13H22O5 |
| InChI |
InChI=1S/C13H22O5/c1-3-4-5-6-9-17-12(14)7-8-13(15)18-11-10-16-2/h7-8H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey |
KNJHNSBAQLUITO-BQYQJAHWSA-N |
| Molecular Weight |
258.314 g/mol |
| SMILES |
CCCCCCOC(\C=C\C(OCCOC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844177 |
