| SpectraBase Compound ID | HilM5dw59PI |
|---|---|
| InChI | InChI=1S/C8H12N2O/c1-4-10-7(3)9-6(2)5-8(10)11/h5H,4H2,1-3H3 |
| InChIKey | IYVQYIYLQWXOMB-UHFFFAOYSA-N |
| Mol Weight | 152.2 g/mol |
| Molecular Formula | C8H12N2O |
| Exact Mass | 152.094963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4m0sdu6TvNn |
|---|---|
| Name | 4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.094963013 u |
| Formula | C8H12N2O |
| InChI | InChI=1S/C8H12N2O/c1-4-10-7(3)9-6(2)5-8(10)11/h5H,4H2,1-3H3 |
| InChIKey | IYVQYIYLQWXOMB-UHFFFAOYSA-N |
| Molecular Weight | 152.197 g/mol |
| SMILES | C=1(N(C(C=C(N1)C)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96782 |