| SpectraBase Compound ID | IHvZb9PaNpE |
|---|---|
| InChI | InChI=1S/C18H18ClNO3/c1-2-23-18(22)17(14-9-5-3-6-10-14)20(16(21)13-19)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3 |
| InChIKey | YQODBOCVUGURPD-UHFFFAOYSA-N |
| Mol Weight | 331.8 g/mol |
| Molecular Formula | C18H18ClNO3 |
| Exact Mass | 331.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T0lW60435Z |
|---|---|
| Name | N-(Chloroacetyl)-N,2-diphenylglycine, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.097521141 u |
| Formula | C18H18ClNO3 |
| InChI | InChI=1S/C18H18ClNO3/c1-2-23-18(22)17(14-9-5-3-6-10-14)20(16(21)13-19)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3 |
| InChIKey | YQODBOCVUGURPD-UHFFFAOYSA-N |
| Molecular Weight | 331.799 g/mol |
| SMILES | C(Cl)C(N(C=1C=CC=CC1)C(C=1C=CC=CC1)C(=O)OCC)=O |