| SpectraBase Compound ID | CvwfWixMWOD |
|---|---|
| InChI | InChI=1S/C15H18Cl2O5/c1-2-3-4-8-21-13(18)9-20-10-14(19)22-15-11(16)6-5-7-12(15)17/h5-7H,2-4,8-10H2,1H3 |
| InChIKey | RQLUHGKIMHFAAQ-UHFFFAOYSA-N |
| Mol Weight | 349.21 g/mol |
| Molecular Formula | C15H18Cl2O5 |
| Exact Mass | 348.053129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXzn2DxHdZY |
|---|---|
| Name | Diglycolic acid, 2,6-dichlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.053129075 u |
| Formula | C15H18Cl2O5 |
| InChI | InChI=1S/C15H18Cl2O5/c1-2-3-4-8-21-13(18)9-20-10-14(19)22-15-11(16)6-5-7-12(15)17/h5-7H,2-4,8-10H2,1H3 |
| InChIKey | RQLUHGKIMHFAAQ-UHFFFAOYSA-N |
| Molecular Weight | 349.210 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=C(C=CC=C1Cl)Cl |