| SpectraBase Compound ID | BUKvzOizioB |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-8(2)10(12)13-9(3)7-11(4,5)6/h8-9H,7H2,1-6H3 |
| InChIKey | OEEQHOYMQYEMOP-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 | 8NYqERIZxsu |
|---|---|
| Name | 4,4-Dimethyl-2-pentanol, 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)10(12)13-9(3)7-11(4,5)6/h8-9H,7H2,1-6H3 |
| InChIKey | OEEQHOYMQYEMOP-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CC(CC(C)OC(C(C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989873 |