| SpectraBase Compound ID | GrwK61BxlK4 |
|---|---|
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3 |
| InChIKey | PICNSXCJRMYANX-UHFFFAOYSA-N |
| Mol Weight | 215.59 g/mol |
| Molecular Formula | C8H6ClNO4 |
| Exact Mass | 214.998535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U7IolQ6pIL |
|---|---|
| Name | Methyl 2-chloro-4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.998535373 u |
| Formula | C8H6ClNO4 |
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3 |
| InChIKey | PICNSXCJRMYANX-UHFFFAOYSA-N |
| Molecular Weight | 215.592 g/mol |
| SMILES | C1(=C(C=CC(=C1)N(=O)=O)C(=O)OC)Cl |