| SpectraBase Compound ID | BDF8mx9s7zu |
|---|---|
| InChI | InChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10) |
| InChIKey | ZRQPOQRDNYJQNB-UHFFFAOYSA-N |
| Mol Weight | 138.17 g/mol |
| Molecular Formula | C7H10N2O |
| Exact Mass | 138.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7OYzDFAUBZs |
|---|---|
| Name | 4,5,6-Trimethyl-2-pyrimidone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.079312949 u |
| Formula | C7H10N2O |
| InChI | InChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10) |
| InChIKey | ZRQPOQRDNYJQNB-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=NC(N1)=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885939 |