| SpectraBase Compound ID | 9yxRmHaihIs |
|---|---|
| InChI | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3 |
| InChIKey | QJJDNZGPQDGNDX-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7UCHNyN5DUE |
|---|---|
| Name | 4-(2,6,6-Trimethyl-1-cyclohexenyl)butan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3 |
| InChIKey | QJJDNZGPQDGNDX-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(=O)(CCC=1C(CCCC1C)(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.878041 |