| SpectraBase Compound ID | 63tUmLsVwOV |
|---|---|
| InChI | InChI=1S/C8H12N2O2/c1-3-4-10-7(11)5-6(2)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,12) |
| InChIKey | BBFJPUDLETXJCY-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 | Af8li1dd6QL |
|---|---|
| Name | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-propyl- |
| 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/c1-3-4-10-7(11)5-6(2)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,12) |
| InChIKey | BBFJPUDLETXJCY-UHFFFAOYSA-N |
| Molecular Weight | 168.196 g/mol |
| SMILES | C1=C(NC(N(C1=O)CCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956086 |