| SpectraBase Compound ID | BQCVlJhsMSP |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-3-4-5-9(11)8(2)6-7-10/h8,10H,3-7H2,1-2H3 |
| InChIKey | HTQDJBYUEMRZQE-UHFFFAOYSA-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 | KVk5RGTxRdF |
|---|---|
| Name | 1-Hydroxy-3-methyloctan-4-one |
| 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/c1-3-4-5-9(11)8(2)6-7-10/h8,10H,3-7H2,1-2H3 |
| InChIKey | HTQDJBYUEMRZQE-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(=O)(C(CCO)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95875 |