| SpectraBase Compound ID | I5TzMBt64wV |
|---|---|
| InChI | InChI=1S/C12H12Cl2O5/c1-2-18-11(15)6-17-7-12(16)19-10-4-3-8(13)5-9(10)14/h3-5H,2,6-7H2,1H3 |
| InChIKey | APKBVWJPEZFXLV-UHFFFAOYSA-N |
| Mol Weight | 307.13 g/mol |
| Molecular Formula | C12H12Cl2O5 |
| Exact Mass | 306.006179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wPi9k9G30P |
|---|---|
| Name | Diglycolic acid, 2,4-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.006178881 u |
| Formula | C12H12Cl2O5 |
| InChI | InChI=1S/C12H12Cl2O5/c1-2-18-11(15)6-17-7-12(16)19-10-4-3-8(13)5-9(10)14/h3-5H,2,6-7H2,1H3 |
| InChIKey | APKBVWJPEZFXLV-UHFFFAOYSA-N |
| Molecular Weight | 307.129 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OC1=C(C=C(C=C1)Cl)Cl |