| SpectraBase Compound ID | 3fd71W8MddI |
|---|---|
| InChI | InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16) |
| InChIKey | PNLKYZVGQWCHBH-UHFFFAOYSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C10H12N2O4 |
| Exact Mass | 224.079707 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ns32SM54if |
|---|---|
| Name | N-Carbamoyltyrosine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.079706870 u |
| Formula | C10H12N2O4 |
| InChI | InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16) |
| InChIKey | PNLKYZVGQWCHBH-UHFFFAOYSA-N |
| SMILES | OC1=CC=C(CC(C(=O)O)NC(N)=O)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.951351 |