| SpectraBase Compound ID | KfhRDwG6Fdj |
|---|---|
| InChI | InChI=1S/C12H12ClNO7/c1-12(10(15)19-2,11(16)20-3)21-9-5-4-7(13)6-8(9)14(17)18/h4-6H,1-3H3 |
| InChIKey | KHHXUUPEJCAPNZ-UHFFFAOYSA-N |
| Mol Weight | 317.68 g/mol |
| Molecular Formula | C12H12ClNO7 |
| Exact Mass | 317.030229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bQQVFOCOHQ |
|---|---|
| Name | Dimethyl 2-methyl-2-(4'-chloro-2'-nitrophenoxy)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.030229423 u |
| Formula | C12H12ClNO7 |
| InChI | InChI=1S/C12H12ClNO7/c1-12(10(15)19-2,11(16)20-3)21-9-5-4-7(13)6-8(9)14(17)18/h4-6H,1-3H3 |
| InChIKey | KHHXUUPEJCAPNZ-UHFFFAOYSA-N |
| Molecular Weight | 317.681 g/mol |
| SMILES | C(OC=1C(N(=O)=O)=CC(=CC1)Cl)(C(=O)OC)(C(=O)OC)C |