| SpectraBase Compound ID | FlAaf1svOWQ |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-8(2)4-3-5-9(11)6-7-10/h4,9-11H,3,5-7H2,1-2H3/t9-/m1/s1 |
| InChIKey | IJKWYGLUJSTESM-SECBINFHSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KF0K4bVPnpO |
|---|---|
| Name | (3R)-7-Methyl-6-octene-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-8(2)4-3-5-9(11)6-7-10/h4,9-11H,3,5-7H2,1-2H3/t9-/m1/s1 |
| InChIKey | IJKWYGLUJSTESM-SECBINFHSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(=CCC[C@](CCO)(O)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975103 |