| SpectraBase Compound ID | GizbAiFmPxx |
|---|---|
| InChI | InChI=1S/C12H13ClO4/c1-16-10(14)12(13,11(15)17-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | SPQWYSQMMJDLGH-UHFFFAOYSA-N |
| Mol Weight | 256.68 g/mol |
| Molecular Formula | C12H13ClO4 |
| Exact Mass | 256.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLrXGNSuVRB |
|---|---|
| Name | 2-Benzyl-2-chloro-malonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.050236595 u |
| Formula | C12H13ClO4 |
| InChI | InChI=1S/C12H13ClO4/c1-16-10(14)12(13,11(15)17-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | SPQWYSQMMJDLGH-UHFFFAOYSA-N |
| Molecular Weight | 256.685 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)(CC=1C=CC=CC1)Cl |