| SpectraBase Spectrum ID |
FaKVc5P1zMe |
| Name |
Fumaric acid, allyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h4,8-9H,2-3,5-7,10-11H2,1H3/b9-8+ |
| InChIKey |
HOZSZLCHJYXRKX-CMDGGOBGSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(\C=C\C(OCC=C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956418 |
