| SpectraBase Compound ID | JAnUK70r92V |
|---|---|
| InChI | InChI=1S/C8H8N2O4/c1-14-8-3-2-6(10(12)13)4-7(8)9-5-11/h2-5H,1H3,(H,9,11) |
| InChIKey | WMFURCICLSTGEJ-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 | L92jUs7D5xx |
|---|---|
| Name | 5'-Nitro-o-formanisidide |
| 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/c1-14-8-3-2-6(10(12)13)4-7(8)9-5-11/h2-5H,1H3,(H,9,11) |
| InChIKey | WMFURCICLSTGEJ-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=CC=C1OC)N(=O)=O)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.973428 |