| SpectraBase Compound ID | FezZHCqNIwY |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-6-9-10-11(7-2)12(14)15-13(4,5)8-3/h11H,6-10H2,1-5H3 |
| InChIKey | DWMPZBNVQGVLIJ-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3v6mskTQBl9 |
|---|---|
| Name | 1,1-Dimethylpropyl 2-ethylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-6-9-10-11(7-2)12(14)15-13(4,5)8-3/h11H,6-10H2,1-5H3 |
| InChIKey | DWMPZBNVQGVLIJ-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | CCC(C)(C)OC(C(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812153 |