| SpectraBase Compound ID | 7smL2Gj1fbX |
|---|---|
| InChI | InChI=1S/C8H7ClN2O3/c1-5(12)10-6-2-3-8(11(13)14)7(9)4-6/h2-4H,1H3,(H,10,12) |
| InChIKey | KUAYZLXOOIEGDN-UHFFFAOYSA-N |
| Mol Weight | 214.61 g/mol |
| Molecular Formula | C8H7ClN2O3 |
| Exact Mass | 214.01452 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 71iYy0bYPwE |
|---|---|
| Name | 3'-Chloro-4'-nitroacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.014519790 u |
| Formula | C8H7ClN2O3 |
| InChI | InChI=1S/C8H7ClN2O3/c1-5(12)10-6-2-3-8(11(13)14)7(9)4-6/h2-4H,1H3,(H,10,12) |
| InChIKey | KUAYZLXOOIEGDN-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=C(C=C1)N(=O)=O)Cl)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.968589 |