| SpectraBase Compound ID | Cz4X4JuKxkt |
|---|---|
| InChI | InChI=1S/C15H11ClN2O5/c1-9(19)17-11-3-5-12(6-4-11)23-15(20)10-2-7-13(16)14(8-10)18(21)22/h2-8H,1H3,(H,17,19) |
| InChIKey | NGOCXXSSSTYAMN-UHFFFAOYSA-N |
| Mol Weight | 334.72 g/mol |
| Molecular Formula | C15H11ClN2O5 |
| Exact Mass | 334.035649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ceq1GwD3oa |
|---|---|
| Name | 4-Acetamidophenyl 3-nitro-4-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.035649157 u |
| Formula | C15H11ClN2O5 |
| InChI | InChI=1S/C15H11ClN2O5/c1-9(19)17-11-3-5-12(6-4-11)23-15(20)10-2-7-13(16)14(8-10)18(21)22/h2-8H,1H3,(H,17,19) |
| InChIKey | NGOCXXSSSTYAMN-UHFFFAOYSA-N |
| Molecular Weight | 334.715 g/mol |
| SMILES | N(C(=O)C)c1ccc(OC(c2cc(N(=O)=O)c(cc2)Cl)=O)cc1 |