| SpectraBase Compound ID | 7b9afIaxIZP |
|---|---|
| InChI | InChI=1S/C14H10ClNO5/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3 |
| InChIKey | DHRPZVIKUJORGC-UHFFFAOYSA-N |
| Mol Weight | 307.69 g/mol |
| Molecular Formula | C14H10ClNO5 |
| Exact Mass | 307.02475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dXqM3JpQ0n |
|---|---|
| Name | 4-(p-Chlorophenoxy)-3-nitrobenzoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.024750121 u |
| Formula | C14H10ClNO5 |
| InChI | InChI=1S/C14H10ClNO5/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3 |
| InChIKey | DHRPZVIKUJORGC-UHFFFAOYSA-N |
| SMILES | COC(C1=CC(=C(C=C1)OC1=CC=C(Cl)C=C1)N(=O)=O)=O |