| SpectraBase Compound ID | IpRdxGOyquT |
|---|---|
| InChI | InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
| InChIKey | JEWXYDDSLPIBBO-UHFFFAOYSA-N |
| Mol Weight | 144.26 g/mol |
| Molecular Formula | C9H20O |
| Exact Mass | 144.151415 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IPbtdXV0wGc |
|---|---|
| Name | 3-Octanol, 3-methyl-, |
| 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/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
| InChIKey | JEWXYDDSLPIBBO-UHFFFAOYSA-N |
| Molecular Weight | 144.258 g/mol |
| SMILES | CCCCCC(CC)(O)C |
| Spectrum/Structure Validation Score (Raman) | 0.968954 |