| SpectraBase Compound ID | 3wHfsnJ9HMJ |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-5-9-11(6-2)10-13(14)15-12(7-3)8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BZFZQQCHRZNSEJ-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 | AFWHzVswnxH |
|---|---|
| Name | 1-Ethylpropyl 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/c1-5-9-11(6-2)10-13(14)15-12(7-3)8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BZFZQQCHRZNSEJ-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(CC(CCC)CC)(=O)OC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952227 |