| SpectraBase Compound ID | 3HnURuMF6F3 |
|---|---|
| InChI | InChI=1S/C9H12N2O7/c12-2-4-5(13)6(14)8(18-4)17-3-1-10-9(16)11-7(3)15/h1,4-6,8,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,8+/m1/s1 |
| InChIKey | YTWKBLQMOVOPGE-UNGCPHIMSA-N |
| Mol Weight | 260.2 g/mol |
| Molecular Formula | C9H12N2O7 |
| Exact Mass | 260.064451 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7DHbEKBIHJ7 |
|---|---|
| Name | 5-alpha-D-Ribofuranosyluracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.064450727 u |
| Formula | C9H12N2O7 |
| InChI | InChI=1S/C9H12N2O7/c12-2-4-5(13)6(14)8(18-4)17-3-1-10-9(16)11-7(3)15/h1,4-6,8,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,8+/m1/s1 |
| InChIKey | YTWKBLQMOVOPGE-UNGCPHIMSA-N |
| Molecular Weight | 260.202 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](CO)(O[C@@]1(OC=1C(NC(NC1)=O)=O)[H])[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.808193 |