| SpectraBase Compound ID | 97Fw3q4f5bQ |
|---|---|
| InChI | InChI=1S/C8H6ClNO3/c9-7-3-1-6(2-4-7)8(11)5-10(12)13/h1-4H,5H2 |
| InChIKey | HBTIYGUWYOHFGD-UHFFFAOYSA-N |
| Mol Weight | 199.59 g/mol |
| Molecular Formula | C8H6ClNO3 |
| Exact Mass | 199.003621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5nxrH3cG1A |
|---|---|
| Name | 1-(4-Chlorophenyl)-2-nitro-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.003620754 u |
| Formula | C8H6ClNO3 |
| InChI | InChI=1S/C8H6ClNO3/c9-7-3-1-6(2-4-7)8(11)5-10(12)13/h1-4H,5H2 |
| InChIKey | HBTIYGUWYOHFGD-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)C(C1=CC=C(C=C1)Cl)=O |