| SpectraBase Compound ID | 8qP9mZWE2o0 |
|---|---|
| InChI | InChI=1S/C16H10O2/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10H |
| InChIKey | OXYFBILTYRSFTD-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C16H10O2 |
| Exact Mass | 234.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GbeHyDbi7bL |
|---|---|
| Name | 1,4-Diphenylbut-3-yne-1,2-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.068079560 u |
| Formula | C16H10O2 |
| InChI | InChI=1S/C16H10O2/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10H |
| InChIKey | OXYFBILTYRSFTD-UHFFFAOYSA-N |
| Molecular Weight | 234.254 g/mol |
| SMILES | C=1C=C(C=CC1)C(=O)C(=O)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917672 |