| SpectraBase Compound ID | 5QayZgYsRPi |
|---|---|
| InChI | InChI=1S/C12H11Cl2NO3/c13-8-4-3-7(6-9(8)14)11(16)15-5-1-2-10(15)12(17)18/h3-4,6,10H,1-2,5H2,(H,17,18) |
| InChIKey | ZHVCKMSAEWCLOO-UHFFFAOYSA-N |
| Mol Weight | 288.13 g/mol |
| Molecular Formula | C12H11Cl2NO3 |
| Exact Mass | 287.011599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXQSarvWRoJ |
|---|---|
| Name | Pyrrolidine-2-carboxylic acid, 1-(3,4-dichlorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.011598615 u |
| Formula | C12H11Cl2NO3 |
| InChI | InChI=1S/C12H11Cl2NO3/c13-8-4-3-7(6-9(8)14)11(16)15-5-1-2-10(15)12(17)18/h3-4,6,10H,1-2,5H2,(H,17,18) |
| InChIKey | ZHVCKMSAEWCLOO-UHFFFAOYSA-N |
| Molecular Weight | 288.130 g/mol |
| SMILES | C1CN(C(C2=CC(Cl)=C(C=C2)Cl)=O)C(C1)C(=O)O |