| SpectraBase Spectrum ID |
9GXWP4hmeVY |
| Name |
Fumaric acid, 2-heptyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-6-8-9-10-12-16-22-18(20)14-15-19(21)23-17(3)13-11-7-5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+ |
| InChIKey |
VSCOHBUBMAOPTC-CCEZHUSRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(OC(C)CCCCC)(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98398 |
