| SpectraBase Compound ID | 3loYV29C0bu |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | SJFUDWKNZGXSLV-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9cwMqVp5IQ5 |
|---|---|
| Name | 2-Octanol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | SJFUDWKNZGXSLV-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CC(OC(CCCCCC)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98878 |