| SpectraBase Spectrum ID |
Ec6M7wkXlK3 |
| Name |
Glutaric acid, isobutyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-10(2)9-17-13(15)7-6-8-14(16)18-12(5)11(3)4/h10-12H,6-9H2,1-5H3 |
| InChIKey |
DGSJKWFMNLFURR-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CC(OC(CCCC(OCC(C)C)=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979443 |
