| SpectraBase Compound ID | K24qrfkKUyP |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h3-8H2,1-2H3 |
| InChIKey | XYRQSRFHRLMWEU-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K87URFlx6Di |
|---|---|
| Name | 5,8A-Dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h3-8H2,1-2H3 |
| InChIKey | XYRQSRFHRLMWEU-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C=12C(CC(CC2)=O)(CCCC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893932 |