| SpectraBase Compound ID | CNlsK9v4UtQ |
|---|---|
| InChI | InChI=1S/C6H14O2/c1-5(7)4-6(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m0/s1 |
| InChIKey | GXVDVJQTXFTVMP-NTSWFWBYSA-N |
| Mol Weight | 118.18 g/mol |
| Molecular Formula | C6H14O2 |
| Exact Mass | 118.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1EpQvpdqBSt |
|---|---|
| Name | (2S,4R)-4-Methoxypentan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.099379689 u |
| Formula | C6H14O2 |
| InChI | InChI=1S/C6H14O2/c1-5(7)4-6(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m0/s1 |
| InChIKey | GXVDVJQTXFTVMP-NTSWFWBYSA-N |
| Molecular Weight | 118.176 g/mol |
| SMILES | [C@@](OC)(C[C@](C)(O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984004 |