| SpectraBase Compound ID | ARZyzGnOS4o |
|---|---|
| InChI | InChI=1S/C9H10N2O4/c10-9(15)11-4-5-1-2-7(12)6(3-5)8(13)14/h1-3,12H,4H2,(H,13,14)(H3,10,11,15) |
| InChIKey | WOQILFRJYIKPKE-UHFFFAOYSA-N |
| Mol Weight | 210.19 g/mol |
| Molecular Formula | C9H10N2O4 |
| Exact Mass | 210.064057 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JMWdlQ2MWeF |
|---|---|
| Name | alpha-Ureido-2,5-cresotic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.064056806 u |
| Formula | C9H10N2O4 |
| InChI | InChI=1S/C9H10N2O4/c10-9(15)11-4-5-1-2-7(12)6(3-5)8(13)14/h1-3,12H,4H2,(H,13,14)(H3,10,11,15) |
| InChIKey | WOQILFRJYIKPKE-UHFFFAOYSA-N |
| SMILES | N(CC=1C=CC(=C(C(O)=O)C1)O)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.74034 |