| SpectraBase Spectrum ID |
GJFgJ90aFY1 |
| Name |
Glutaric acid, ethyl 4-methylpent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-5-16-12(14)7-6-8-13(15)17-11(4)9-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey |
DXKVEEHAQDZZBV-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
CC(OC(CCCC(OCC)=O)=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862486 |
