| SpectraBase Spectrum ID |
FEwW3Y8dx9l |
| Name |
Glutaric acid, 3-methylbut-2-yl isopropyl 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/c1-9(2)11(5)17-13(15)8-6-7-12(14)16-10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey |
WITDUQPWOBYWRC-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890528 |
