| SpectraBase Compound ID | A2mEyTm4To6 |
|---|---|
| InChI | InChI=1S/C16H12N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | FBQJKKPQBMSWEP-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C16H12N2O3 |
| Exact Mass | 280.084792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1MlS8kMYCno |
|---|---|
| Name | 1,3-Diphenyl-barbituric-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.084792251 u |
| Formula | C16H12N2O3 |
| InChI | InChI=1S/C16H12N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | FBQJKKPQBMSWEP-UHFFFAOYSA-N |
| SMILES | C1(N(C(CC(N1C1=CC=CC=C1)=O)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965352 |