| SpectraBase Compound ID | DWw2U9rrC7j |
|---|---|
| InChI | InChI=1S/C11H18O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h8-10H,2-7H2,1H3 |
| InChIKey | OATKSURGQMWHRL-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hawrmz3aUv3 |
|---|---|
| Name | 1-Methyloctahydro-2(1H)-naphthalenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h8-10H,2-7H2,1H3 |
| InChIKey | OATKSURGQMWHRL-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(=O)CCC2C(CCCC2)C1C |
| Spectrum/Structure Validation Score (Raman) | 0.907921 |