| SpectraBase Compound ID | KWfbkkNcOl6 |
|---|---|
| InChI | InChI=1S/C10H8N2O/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13) |
| InChIKey | LDORHCBMWSQLIU-UHFFFAOYSA-N |
| Mol Weight | 172.19 g/mol |
| Molecular Formula | C10H8N2O |
| Exact Mass | 172.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KnIoUGugmeV |
|---|---|
| Name | 2-oxo-4-Phenyl-1,2-dihydropyrimidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.063662885 u |
| Formula | C10H8N2O |
| InChI | InChI=1S/C10H8N2O/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13) |
| InChIKey | LDORHCBMWSQLIU-UHFFFAOYSA-N |
| Molecular Weight | 172.187 g/mol |
| SMILES | C1=CC=CC=C1C1=NC(NC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940962 |