| SpectraBase Spectrum ID |
4LizHt2Cz7g |
| Name |
Fumaric acid, hexyl undec-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-3-5-7-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-8-6-4-2/h13,15-17H,3-12,14,18-19H2,1-2H3/b15-13+,17-16+ |
| InChIKey |
CACXQRHYYAXNDM-TZSXFDEBSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(CCC\C=C\COC(\C=C\C(OCCCCCC)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959045 |
