| SpectraBase Compound ID | G4vPdNTn2MD |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-5-8-10-13(7-3)11-16-14(15)12(4)9-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | URLXXEYFQAJCPZ-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWNqm6Xe3XH |
|---|---|
| Name | 2-Methylvaleric acid, 2-ethylhexyl 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/c1-5-8-10-13(7-3)11-16-14(15)12(4)9-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | URLXXEYFQAJCPZ-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(C(C(=O)OCC(CCCC)CC)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989728 |