| SpectraBase Compound ID | H2IrKRApolt |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h14H,4-12H2,1-3H3 |
| InChIKey | IZXGQILPHIBIBK-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
| SpectraBase Spectrum ID | G4l3Rc6NBdz |
|---|---|
| Name | 1-Nonanol, 9-(1,1-dimethylethoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h14H,4-12H2,1-3H3 |
| InChIKey | IZXGQILPHIBIBK-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | OCCCCCCCCCOC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.981099 |