| SpectraBase Spectrum ID |
3HVOYRkhRQs |
| Name |
Fumaric acid, allyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-3-5-6-7-8-9-10-11-12-16-22-18(20)14-13-17(19)21-15-4-2/h4,13-14H,2-3,5-12,15-16H2,1H3/b14-13+ |
| InChIKey |
ISQLFHKTOKELHW-BUHFOSPRSA-N |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCC=C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947649 |
