| SpectraBase Spectrum ID |
E4eIz0VtWmK |
| Name |
Fumaric acid, heptyl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.178023932 u |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-3-4-5-6-7-14-23-18(20)12-13-19(21)24-15-16-8-10-17(22-2)11-9-16/h8-13H,3-7,14-15H2,1-2H3/b13-12+ |
| InChIKey |
YOXLBMSAPXZURA-OUKQBFOZSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
CCCCCCCOC(\C=C\C(OCC1=CC=C(OC)C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938257 |
