| SpectraBase Spectrum ID |
HfEzQoszx77 |
| Name |
Fumaric acid, heptyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-2-3-4-5-9-15-22-18(20)12-13-19(21)23-16-14-17-10-7-6-8-11-17/h6-8,10-13H,2-5,9,14-16H2,1H3/b13-12+ |
| InChIKey |
GATPNGYQGASMFL-OUKQBFOZSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCC)=O)(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859407 |
