| SpectraBase Compound ID | FVOuGAH3Rf0 |
|---|---|
| InChI | InChI=1S/C8H12N2O2/c1-4-10-5-6(2)7(11)9(3)8(10)12/h5H,4H2,1-3H3 |
| InChIKey | SBTBZNWMHCPQIY-UHFFFAOYSA-N |
| Mol Weight | 168.2 g/mol |
| Molecular Formula | C8H12N2O2 |
| Exact Mass | 168.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EuiXhPdnHfv |
|---|---|
| Name | 1-Ethyl-3,5-dimethyl-pyrimidine-2,4-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.089877632 u |
| Formula | C8H12N2O2 |
| InChI | InChI=1S/C8H12N2O2/c1-4-10-5-6(2)7(11)9(3)8(10)12/h5H,4H2,1-3H3 |
| InChIKey | SBTBZNWMHCPQIY-UHFFFAOYSA-N |
| Molecular Weight | 168.196 g/mol |
| SMILES | C1(=O)C(=CN(C(=O)N1C)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883052 |