| SpectraBase Compound ID | CG6eMQFXeMG |
|---|---|
| InChI | InChI=1S/C7H16O/c1-4-6(2)7(3)5-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | MIBBFRQOCRYDDB-UHFFFAOYSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H16O |
| Exact Mass | 116.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AVyDzmY1S4d |
|---|---|
| Name | 2,3-Dimethyl-1-pentanol |
| 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/c1-4-6(2)7(3)5-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | MIBBFRQOCRYDDB-UHFFFAOYSA-N |
| Molecular Weight | 116.204 g/mol |
| SMILES | OCC(C(CC)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.947132 |