| SpectraBase Spectrum ID |
BBfWcVNyQdw |
| Name |
Glutaric acid, ethyl 3-methylbut-2-enyl 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/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey |
BYLBJXDKXMMJOF-UHFFFAOYSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
CC(C)=CCOC(CCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823883 |
