| SpectraBase Spectrum ID |
JkPAxnitwpL |
| Name |
2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.208930140 u |
| Formula |
C14H28O2 |
| InChI |
InChI=1S/C14H28O2/c1-7-12(8-2)13(15)16-10-11(3)9-14(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey |
WLQKSHVRTDKBAH-UHFFFAOYSA-N |
| Molecular Weight |
228.376 g/mol |
| SMILES |
C(=O)(OCC(CC(C)(C)C)C)C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98791 |
