| SpectraBase Compound ID | CpIYKGIsozN |
|---|---|
| InChI | InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12) |
| InChIKey | UCBHRCPNMDOUMV-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 | GRxx2p7Nfne |
|---|---|
| Name | 2-Chloro-3'-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/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12) |
| InChIKey | UCBHRCPNMDOUMV-UHFFFAOYSA-N |
| Molecular Weight | 214.608 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1)NC(CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.941279 |