| SpectraBase Compound ID | F4PpJtDMR1m |
|---|---|
| InChI | InChI=1S/C9H20O/c1-5-8(3)7-9(4,10)6-2/h8,10H,5-7H2,1-4H3 |
| InChIKey | NOSOEGQGQOMHBF-UHFFFAOYSA-N |
| Mol Weight | 144.26 g/mol |
| Molecular Formula | C9H20O |
| Exact Mass | 144.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IB58NGfLMO0 |
|---|---|
| Name | 3-Heptanol, 3,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.151415263 u |
| Formula | C9H20O |
| InChI | InChI=1S/C9H20O/c1-5-8(3)7-9(4,10)6-2/h8,10H,5-7H2,1-4H3 |
| InChIKey | NOSOEGQGQOMHBF-UHFFFAOYSA-N |
| Molecular Weight | 144.258 g/mol |
| SMILES | CCC(CC(CC)(O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910958 |