| SpectraBase Spectrum ID |
8E4Q7qzWWk |
| Name |
Fumaric acid, ethyl tetrahydrofurfuryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.099773610 u |
| Formula |
C11H16O5 |
| InChI |
InChI=1S/C11H16O5/c1-2-14-10(12)5-6-11(13)16-8-9-4-3-7-15-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+ |
| InChIKey |
QHVSRCXNAYRGAR-AATRIKPKSA-N |
| Molecular Weight |
228.244 g/mol |
| SMILES |
C(\C=C\C(OCC1CCCO1)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929362 |
