| SpectraBase Compound ID | IkQZ4rpBeLL |
|---|---|
| InChI | InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C15H12O2 |
| Exact Mass | 224.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HREtudMVd2s |
|---|---|
| Name | 1,3-Diphenyl-1,3-propanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.083729624 u |
| Formula | C15H12O2 |
| InChI | InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
| Molecular Weight | 224.259 g/mol |
| SMILES | C=1C(=CC=CC1)C(CC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.820945 |