| SpectraBase Compound ID | EHg0oAMdLUn |
|---|---|
| InChI | InChI=1S/C9H20O3/c1-3-4-8(11)7-9(2,12)5-6-10/h8,10-12H,3-7H2,1-2H3 |
| InChIKey | QPAUHCYTMVBOGD-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 | C2mOemcgJpb |
|---|---|
| Name | 3-Methyloctane-1,3,5-triol |
| 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/c1-3-4-8(11)7-9(2,12)5-6-10/h8,10-12H,3-7H2,1-2H3 |
| InChIKey | QPAUHCYTMVBOGD-UHFFFAOYSA-N |
| Molecular Weight | 176.256 g/mol |
| SMILES | C(CC(CC(CCC)O)(O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846646 |