| SpectraBase Spectrum ID |
KAVunqOhWRZ |
| Name |
Fumaric acid, heptyl pent-4-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.183109313 u |
| Formula |
C16H26O4 |
| InChI |
InChI=1S/C16H26O4/c1-3-5-7-8-10-14-20-16(18)12-11-15(17)19-13-9-6-4-2/h4,11-12H,2-3,5-10,13-14H2,1H3/b12-11+ |
| InChIKey |
SGLOUBOOSRWDAJ-VAWYXSNFSA-N |
| SMILES |
C(\C=C\C(OCCCCCCC)=O)(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915632 |
