| SpectraBase Spectrum ID |
DNGs5bJwPa2 |
| Name |
Glutaric acid, 3,3-dimethylbut-2-yl ethyl 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/c1-6-16-11(14)8-7-9-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey |
HTAXXXCFZIOHLA-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
CC(C)(C)C(OC(CCCC(OCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919244 |
