| SpectraBase Compound ID | CM3OIeNB5Pd |
|---|---|
| InChI | InChI=1S/C6H12N2O/c1-6(2)3-7-5(9)8-4-6/h3-4H2,1-2H3,(H2,7,8,9) |
| InChIKey | YHLVEHXOBBYATA-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C6H12N2O |
| Exact Mass | 128.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FFBcUIwCh9K |
|---|---|
| Name | 5,5-Dimethyltetrahydro-2(1H)-pyrimidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.094963013 u |
| Formula | C6H12N2O |
| InChI | InChI=1S/C6H12N2O/c1-6(2)3-7-5(9)8-4-6/h3-4H2,1-2H3,(H2,7,8,9) |
| InChIKey | YHLVEHXOBBYATA-UHFFFAOYSA-N |
| Molecular Weight | 128.175 g/mol |
| SMILES | N1CC(CNC1=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.989817 |