acetate](/api/spectrum/1WtZBkQzVC3/structure.png?h=300&w=458 "Ethyl [(4-chlorobenzyl)amino](oxo)acetate")
| SpectraBase Compound ID | AdOFLK1mfGC |
|---|---|
| InChI | InChI=1S/C11H12ClNO3/c1-2-16-11(15)10(14)13-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,14) |
| InChIKey | AIGHLUGGIZLWGU-UHFFFAOYSA-N |
| Mol Weight | 241.67 g/mol |
| Molecular Formula | C11H12ClNO3 |
| Exact Mass | 241.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WtZBkQzVC3 |
|---|---|
| Name | Ethyl [(4-chlorobenzyl)amino](oxo)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.050570947 u |
| Formula | C11H12ClNO3 |
| InChI | InChI=1S/C11H12ClNO3/c1-2-16-11(15)10(14)13-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,14) |
| InChIKey | AIGHLUGGIZLWGU-UHFFFAOYSA-N |
| Molecular Weight | 241.674 g/mol |
| SMILES | C(NC(C(OCC)=O)=O)C1=CC=C(C=C1)Cl |