| SpectraBase Compound ID | HiOJiioILIU |
|---|---|
| InChI | InChI=1S/C8H8N2O4/c11-8(12)5-9-6-2-1-3-7(4-6)10(13)14/h1-4,9H,5H2,(H,11,12) |
| InChIKey | YWWRLAPJIGCYRN-UHFFFAOYSA-N |
| Mol Weight | 196.16 g/mol |
| Molecular Formula | C8H8N2O4 |
| Exact Mass | 196.048407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9LIcUdCy7Gc |
|---|---|
| Name | N-(m-Nitrophenyl)glycine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.048406742 u |
| Formula | C8H8N2O4 |
| InChI | InChI=1S/C8H8N2O4/c11-8(12)5-9-6-2-1-3-7(4-6)10(13)14/h1-4,9H,5H2,(H,11,12) |
| InChIKey | YWWRLAPJIGCYRN-UHFFFAOYSA-N |
| Molecular Weight | 196.162 g/mol |
| SMILES | OC(CNC1=CC(=CC=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.898683 |