| SpectraBase Spectrum ID |
ICbait8FEgV |
| Name |
Fumaric acid, ethyl 5-methoxy-3-phenylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.162373868 u |
| Formula |
C18H24O5 |
| InChI |
InChI=1S/C18H24O5/c1-3-22-17(19)9-10-18(20)23-14-12-16(11-13-21-2)15-7-5-4-6-8-15/h4-10,16H,3,11-14H2,1-2H3/b10-9+ |
| InChIKey |
IIWFOUCDAWBYTB-MDZDMXLPSA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
C(\C=C\C(OCCC(C1=CC=CC=C1)CCOC)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94579 |
