| SpectraBase Compound ID | 6dfqLaWZypu |
|---|---|
| InChI | InChI=1S/C11H9FN2O/c12-10-6-13-11(15)14(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 |
| InChIKey | PSKNUVKPAOJEPR-UHFFFAOYSA-N |
| Mol Weight | 204.2 g/mol |
| Molecular Formula | C11H9FN2O |
| Exact Mass | 204.069891 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 | DNAaJ9YW9yQ |
|---|---|
| Name | 1-Benzyl-5-fluoro-pyrimidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.069891080 u |
| Formula | C11H9FN2O |
| InChI | InChI=1S/C11H9FN2O/c12-10-6-13-11(15)14(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 |
| InChIKey | PSKNUVKPAOJEPR-UHFFFAOYSA-N |
| Molecular Weight | 204.204 g/mol |
| SMILES | C1(N(C=C(C=N1)F)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946407 |