| SpectraBase Compound ID | 83Nd0xWgQnt |
|---|---|
| InChI | InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | SPXWGAHNKXLXAP-WDSKDSINSA-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 | JR6312QcjyZ |
|---|---|
| Name | (2S,3S)-2-Methylpentane-1,3-diol |
| 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/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | SPXWGAHNKXLXAP-WDSKDSINSA-N |
| Molecular Weight | 118.176 g/mol |
| SMILES | [C@]([C@@](O)(CC)[H])(CO)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9499 |