| SpectraBase Compound ID | Lwji8W5pse1 |
|---|---|
| InChI | InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) |
| InChIKey | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C8H8N2O3 |
| Exact Mass | 180.053492 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4xuHYTofOhX |
|---|---|
| Name | 3'-Nitroacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.053492123 u |
| Formula | C8H8N2O3 |
| InChI | InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) |
| InChIKey | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| Molecular Weight | 180.163 g/mol |
| SMILES | N(C1=CC(=CC=C1)N(=O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.952727 |