| SpectraBase Compound ID | O0R9LElefA |
|---|---|
| InChI | InChI=1S/C12H21NO/c1-4-5-6-13-10-7-11(14)9-12(2,3)8-10/h7,13H,4-6,8-9H2,1-3H3 |
| InChIKey | RUPJSSMIJPRJDH-UHFFFAOYSA-N |
| Mol Weight | 195.31 g/mol |
| Molecular Formula | C12H21NO |
| Exact Mass | 195.162314 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6HIhEtZMAze |
|---|---|
| Name | 3-(Butylamino)-5,5-dimethyl-2-cyclohexen-1-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/c1-4-5-6-13-10-7-11(14)9-12(2,3)8-10/h7,13H,4-6,8-9H2,1-3H3 |
| InChIKey | RUPJSSMIJPRJDH-UHFFFAOYSA-N |
| Molecular Weight | 195.306 g/mol |
| SMILES | N(C1=CC(CC(C1)(C)C)=O)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.997693 |