| SpectraBase Compound ID | 1zMkQs5Yne1 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7-8(6-11)10(2,3)5-4-9(7)12/h11H,4-6H2,1-3H3 |
| InChIKey | MZKKYIHMJPMHFU-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J6XOBNIyuI8 |
|---|---|
| Name | 3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclohexen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-7-8(6-11)10(2,3)5-4-9(7)12/h11H,4-6H2,1-3H3 |
| InChIKey | MZKKYIHMJPMHFU-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1C(C(=C(C(C1)(C)C)CO)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.942834 |