| SpectraBase Spectrum ID |
HAxQlGmXjPA |
| Name |
Glutaric acid, 3-methylbut-3-enyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-4-9-16-12(14)6-5-7-13(15)17-10-8-11(2)3/h2,4-10H2,1,3H3 |
| InChIKey |
DAJRVANLOXSFDT-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
CC(CCOC(CCCC(OCCC)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943916 |
