| SpectraBase Compound ID | JkPSRZhsMDv |
|---|---|
| InChI | InChI=1S/C12H12ClNO3/c1-2-17-12(16)8-7-11(15)14-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,14,15)/b8-7+ |
| InChIKey | FTGWFSFTRHPHIF-BQYQJAHWSA-N |
| Mol Weight | 253.68 g/mol |
| Molecular Formula | C12H12ClNO3 |
| Exact Mass | 253.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32SGOntLcoh |
|---|---|
| Name | Fumaric acid, monoamide, N-(4-chlorophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.050570947 u |
| Formula | C12H12ClNO3 |
| InChI | InChI=1S/C12H12ClNO3/c1-2-17-12(16)8-7-11(15)14-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,14,15)/b8-7+ |
| InChIKey | FTGWFSFTRHPHIF-BQYQJAHWSA-N |
| Molecular Weight | 253.685 g/mol |
| SMILES | C(\C=C\C(NC1=CC=C(C=C1)Cl)=O)(OCC)=O |