| SpectraBase Compound ID | 90Hu1MD9d3t |
|---|---|
| InChI | InChI=1S/C11H10N2O/c1-9-7-8-13(11(14)12-9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | XZQDTMRTORAODF-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C11H10N2O |
| Exact Mass | 186.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1q025OGglb9 |
|---|---|
| Name | 4-Methyl-1-phenylpyrimidin-2(1H)-one |
| 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/c1-9-7-8-13(11(14)12-9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | XZQDTMRTORAODF-UHFFFAOYSA-N |
| Molecular Weight | 186.214 g/mol |
| SMILES | C=1(N2C(=O)N=C(C)C=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96181 |