| SpectraBase Compound ID | D93UOqAIdDw |
|---|---|
| InChI | InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | UPPYKNLSSLIIAZ-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DBvy8kHz2za |
|---|---|
| Name | 5-Phenyl-1,3-cyclohexanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | UPPYKNLSSLIIAZ-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1(=CC=CC=C1)C1CC(CC(C1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936524 |