| SpectraBase Compound ID | ErXN6AK01rz |
|---|---|
| InChI | InChI=1S/C16H14O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3 |
| InChIKey | KCHQXPGUJBVNTN-UHFFFAOYSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C16H14O |
| Exact Mass | 222.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KHSUNVtXvpb |
|---|---|
| Name | 4,4-Diphenyl-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.104465070 u |
| Formula | C16H14O |
| InChI | InChI=1S/C16H14O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3 |
| InChIKey | KCHQXPGUJBVNTN-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C=1C(=CC=CC1)C(=CC(C)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.94946 |