| SpectraBase Compound ID | 4BcdYJcwlnm |
|---|---|
| InChI | InChI=1S/C12H21NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-10H,4-8H2,1-3H3 |
| InChIKey | HPUNYTZFAGLYSC-UHFFFAOYSA-N |
| Mol Weight | 195.31 g/mol |
| Molecular Formula | C12H21NO |
| Exact Mass | 195.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 760eXyF8LeL |
|---|---|
| Name | 1,2,9-Trimethyldecahydroquinol-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.162314299 u |
| Formula | C12H21NO |
| InChI | InChI=1S/C12H21NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-10H,4-8H2,1-3H3 |
| InChIKey | HPUNYTZFAGLYSC-UHFFFAOYSA-N |
| Molecular Weight | 195.306 g/mol |
| SMILES | CN1C(C)CC(=O)C2C1(C)CCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946834 |