| SpectraBase Compound ID | Fi8SMnx7ugA |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-3-4-5-6-8(10)7(2)9/h7-10H,3-6H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey | XMTUJCWABCYSIV-JGVFFNPUSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BE2R8Zc0Arf |
|---|---|
| Name | (2S*,3R*)-Octan-2,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-3-4-5-6-8(10)7(2)9/h7-10H,3-6H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey | XMTUJCWABCYSIV-JGVFFNPUSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | CCCCC[C@]([C@](C)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805287 |