| SpectraBase Compound ID | CRfrYk1l3hp |
|---|---|
| InChI | InChI=1S/C9H9ClN2O4/c10-5-6-16-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,11,13) |
| InChIKey | COEVUZLBFRTZAQ-UHFFFAOYSA-N |
| Mol Weight | 244.63 g/mol |
| Molecular Formula | C9H9ClN2O4 |
| Exact Mass | 244.025084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl4ADoBokkI |
|---|---|
| Name | Carbanilic acid, p-nitro-, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.025084474 u |
| Formula | C9H9ClN2O4 |
| InChI | InChI=1S/C9H9ClN2O4/c10-5-6-16-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,11,13) |
| InChIKey | COEVUZLBFRTZAQ-UHFFFAOYSA-N |
| Molecular Weight | 244.634 g/mol |
| SMILES | C1(NC(OCCCl)=O)=CC=C(C=C1)N(=O)=O |