| SpectraBase Compound ID | KGYbemJbA63 |
|---|---|
| InChI | InChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13) |
| InChIKey | OATNBMJACLEOTB-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 | 11UOtBB8kpE |
|---|---|
| Name | 6-Phenyl-4(3H)-pyrimidinone |
| 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/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13) |
| InChIKey | OATNBMJACLEOTB-UHFFFAOYSA-N |
| Molecular Weight | 172.187 g/mol |
| SMILES | C=1C(NC=NC1C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948028 |