SpectraBase Compound ID | LlxzJO2lAVc |
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InChI | InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9) |
InChIKey | VPLZGVOSFFCKFC-UHFFFAOYSA-N |
Mol Weight | 126.11 g/mol |
Molecular Formula | C5H6N2O2 |
Exact Mass | 126.042927 g/mol |
SpectraBase Spectrum ID | BL1zPSAUzVX |
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Name | 3-Methyl-uracil |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 126.042927439 u |
Formula | C5H6N2O2 |
InChI | InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9) |
InChIKey | VPLZGVOSFFCKFC-UHFFFAOYSA-N |
Molecular Weight | 126.115 g/mol |
SMILES | C1(NC=CC(N1C)=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.86188 |