| SpectraBase Spectrum ID |
EXHeyLLlmUe |
| Name |
Fumaric acid, 2-methoxyphenyl 2-ethylhexyl 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/c1-4-6-9-15(5-2)14-23-18(20)12-13-19(21)24-17-11-8-7-10-16(17)22-3/h7-8,10-13,15H,4-6,9,14H2,1-3H3/b13-12+ |
| InChIKey |
VPEKGMQVBCKKKH-OUKQBFOZSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C(\C=C\C(OCC(CC)CCCC)=O)(OC1=C(OC)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832978 |
