| SpectraBase Compound ID | Cc2GTZWGKOl |
|---|---|
| InChI | InChI=1S/C12H12ClNO3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7H2,(H,16,17) |
| InChIKey | CVMZADJYCGKILL-UHFFFAOYSA-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 | EdHFpIeYST0 |
|---|---|
| Name | 1-(2-Chlorobenzoyl)proline |
| 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/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7H2,(H,16,17) |
| InChIKey | CVMZADJYCGKILL-UHFFFAOYSA-N |
| Molecular Weight | 253.685 g/mol |
| SMILES | C1(Cl)=C(C=CC=C1)C(=O)N1C(CCC1)C(=O)O |