| SpectraBase Spectrum ID |
AkkVJHy70Vv |
| Name |
Glutaric acid, 2,4-dimethylpent-3-yl ethyl 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/c1-6-17-12(15)8-7-9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3 |
| InChIKey |
KXEUXZXMSXJGBL-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CC(C)C(OC(CCCC(OCC)=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948996 |
