| SpectraBase Compound ID | 5mPxNIG7Vi3 |
|---|---|
| InChI | InChI=1S/C7H16O/c1-6(2)5-7(3)8-4/h6-7H,5H2,1-4H3 |
| InChIKey | XOOBTEUBXZXNKK-UHFFFAOYSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H16O |
| Exact Mass | 116.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JlNzNp2OcCl |
|---|---|
| Name | 4-Methyl-2-pentanol, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.120115134 u |
| Formula | C7H16O |
| InChI | InChI=1S/C7H16O/c1-6(2)5-7(3)8-4/h6-7H,5H2,1-4H3 |
| InChIKey | XOOBTEUBXZXNKK-UHFFFAOYSA-N |
| Molecular Weight | 116.204 g/mol |
| SMILES | CC(CC(C)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950721 |