| SpectraBase Compound ID | JjOYft9dP2F |
|---|---|
| InChI | InChI=1S/C10H8ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h1-6H,7H2/b6-1+ |
| InChIKey | LIVUUKNGTUNKGJ-LZCJLJQNSA-N |
| Mol Weight | 241.63 g/mol |
| Molecular Formula | C10H8ClNO4 |
| Exact Mass | 241.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDQ3sxCzBwp |
|---|---|
| Name | 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.014185438 u |
| Formula | C10H8ClNO4 |
| InChI | InChI=1S/C10H8ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h1-6H,7H2/b6-1+ |
| InChIKey | LIVUUKNGTUNKGJ-LZCJLJQNSA-N |
| Molecular Weight | 241.630 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OC\C=C\Cl)N(=O)=O |