| SpectraBase Compound ID | JAdBGyyD7Lu |
|---|---|
| InChI | InChI=1S/C8H6ClNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 |
| InChIKey | YKLMHYUFNDAZAG-UHFFFAOYSA-N |
| Mol Weight | 199.59 g/mol |
| Molecular Formula | C8H6ClNO3 |
| Exact Mass | 199.003621 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HozmQpknmKc |
|---|---|
| Name | 2-Chloro-4'-nitroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.003620754 u |
| Formula | C8H6ClNO3 |
| InChI | InChI=1S/C8H6ClNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 |
| InChIKey | YKLMHYUFNDAZAG-UHFFFAOYSA-N |
| Molecular Weight | 199.593 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C(CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.946803 |