| SpectraBase Spectrum ID |
6nqO6M3gCZh |
| Name |
Fumaric acid, 5-methoxy-3-phenylpentyl propyl 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/c1-3-13-23-18(20)9-10-19(21)24-15-12-17(11-14-22-2)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3/b10-9+ |
| InChIKey |
UKRNMFPRXJSCIP-MDZDMXLPSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C(OCCC(CCOC)C1=CC=CC=C1)(\C=C\C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975236 |
