| SpectraBase Compound ID | F2Mga6cUIXx |
|---|---|
| InChI | InChI=1S/C8H12N2O/c1-8(2,3)6-4-7(11)10-5-9-6/h4-5H,1-3H3,(H,9,10,11) |
| InChIKey | HPQRLELYJOCYDQ-UHFFFAOYSA-N |
| Mol Weight | 152.2 g/mol |
| Molecular Formula | C8H12N2O |
| Exact Mass | 152.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 907PUCXOfiF |
|---|---|
| Name | 6-Tert-butyl-4(3H)-pyrimidinone |
| 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/c1-8(2,3)6-4-7(11)10-5-9-6/h4-5H,1-3H3,(H,9,10,11) |
| InChIKey | HPQRLELYJOCYDQ-UHFFFAOYSA-N |
| Molecular Weight | 152.197 g/mol |
| SMILES | N1C(C=C(N=C1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.966945 |