| SpectraBase Compound ID | 3eKwYRvgdpD |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-8(2)6-7-10(5)13-11(12)9(3)4/h8-10H,6-7H2,1-5H3 |
| InChIKey | FIXFGKZZTAEZHP-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HvN93KmKpFb |
|---|---|
| Name | 5-Methyl-2-hexanol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-8(2)6-7-10(5)13-11(12)9(3)4/h8-10H,6-7H2,1-5H3 |
| InChIKey | FIXFGKZZTAEZHP-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CC(CCC(C)OC(C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981556 |