| SpectraBase Compound ID | LDJ4tEahMLi |
|---|---|
| InChI | InChI=1S/C11H10N2O/c1-9-12-8-7-11(14)13(9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | FUCYEJOUOLYWRJ-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C11H10N2O |
| Exact Mass | 186.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G1keZfvgak5 |
|---|---|
| Name | 4(3H)-Pyrimidinone, 2-methyl-3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.079312949 u |
| Formula | C11H10N2O |
| InChI | InChI=1S/C11H10N2O/c1-9-12-8-7-11(14)13(9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | FUCYEJOUOLYWRJ-UHFFFAOYSA-N |
| Molecular Weight | 186.214 g/mol |
| SMILES | C1(N(C(=NC=C1)C)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959367 |