| SpectraBase Compound ID | Jtwm7hrFitT |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-7(9)5-4-6-8(2,3)10/h7,9-10H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey | IOMHEFJNPZANMF-ZETCQYMHSA-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 | 974kmGdPleQ |
|---|---|
| Name | (S)-6-Methylheptan-2,6-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/c1-7(9)5-4-6-8(2,3)10/h7,9-10H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey | IOMHEFJNPZANMF-ZETCQYMHSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | C(O)(CCC[C@@](O)(C)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97127 |