| SpectraBase Compound ID | FBNZug8sF8M |
|---|---|
| InChI | InChI=1S/C9H20O3/c1-8(5-4-6-10)7-9(11-2)12-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | JFTSBFBCOGXNFJ-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C9H20O3 |
| Exact Mass | 176.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2bSbmZdLq7X |
|---|---|
| Name | 6,6-Dimethoxy-4-methylhexan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.141244501 u |
| Formula | C9H20O3 |
| InChI | InChI=1S/C9H20O3/c1-8(5-4-6-10)7-9(11-2)12-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | JFTSBFBCOGXNFJ-UHFFFAOYSA-N |
| Molecular Weight | 176.256 g/mol |
| SMILES | C(CC(CCCO)C)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926074 |