| SpectraBase Compound ID | K53E6JHpvqS |
|---|---|
| InChI | InChI=1S/C11H12ClNO3/c1-2-16-10(14)7-13-11(15)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,13,15) |
| InChIKey | ATNIQYFSDQIEJR-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 | A368aCHiKof |
|---|---|
| Name | Glycine, N-(3-chlorobenzoyl)-, ethyl ester |
| 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/c1-2-16-10(14)7-13-11(15)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,13,15) |
| InChIKey | ATNIQYFSDQIEJR-UHFFFAOYSA-N |
| Molecular Weight | 241.674 g/mol |
| SMILES | C1(Cl)=CC(=CC=C1)C(=O)NCC(=O)OCC |