| SpectraBase Compound ID | 8qiXRgA7VGP |
|---|---|
| InChI | InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3 |
| InChIKey | VHTFHZGAMYUZEP-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 | lIWXqaTgQb |
|---|---|
| Name | 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde |
| 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/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3 |
| InChIKey | VHTFHZGAMYUZEP-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC1=C(C(CCC1)(C)C)CC=O |
| Spectrum/Structure Validation Score (Raman) | 0.854415 |