| SpectraBase Spectrum ID |
Ez1KAfiitA9 |
| Name |
Glutaric acid, isobutyl 2-methylbutyl 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/c1-5-12(4)10-18-14(16)8-6-7-13(15)17-9-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey |
NBRNYWKOVYLDQO-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CC(C)COC(CCCC(OCC(CC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926751 |
