| SpectraBase Compound ID | 7d2PdN5aTr1 |
|---|---|
| InChI | InChI=1S/C10H9N3O5/c14-8(7-9(15)12-10(16)11-7)5-1-3-6(4-2-5)13(17)18/h1-4,7-8,14H,(H2,11,12,15,16) |
| InChIKey | XGXXSBJMESSINU-UHFFFAOYSA-N |
| Mol Weight | 251.2 g/mol |
| Molecular Formula | C10H9N3O5 |
| Exact Mass | 251.05422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | PfXsKDAZ6P |
|---|---|
| Name | 5-(alpha-Hydroxy-p-nitrobenzyl)hydantoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.054220397 u |
| Formula | C10H9N3O5 |
| InChI | InChI=1S/C10H9N3O5/c14-8(7-9(15)12-10(16)11-7)5-1-3-6(4-2-5)13(17)18/h1-4,7-8,14H,(H2,11,12,15,16) |
| InChIKey | XGXXSBJMESSINU-UHFFFAOYSA-N |
| SMILES | N1C(NC(C(C=2C=CC(=CC2)N(=O)=O)O)C1=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.970945 |