| SpectraBase Spectrum ID |
FZCHR4RqgGX |
| Name |
Glutaric acid, ethyl pent-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey |
CPSHKWKXPJRLKT-AATRIKPKSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
C(CCC(OCC)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887907 |
