| SpectraBase Compound ID | I2EHTtwK1oU |
|---|---|
| InChI | InChI=1S/C17H22Cl2O5/c1-2-3-4-5-6-10-23-15(20)11-22-12-16(21)24-17-13(18)8-7-9-14(17)19/h7-9H,2-6,10-12H2,1H3 |
| InChIKey | SMEKULMSLOURME-UHFFFAOYSA-N |
| Mol Weight | 377.26 g/mol |
| Molecular Formula | C17H22Cl2O5 |
| Exact Mass | 376.084429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QNQYwsTVDo |
|---|---|
| Name | Diglycolic acid, 2,6-dichlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.084429203 u |
| Formula | C17H22Cl2O5 |
| InChI | InChI=1S/C17H22Cl2O5/c1-2-3-4-5-6-10-23-15(20)11-22-12-16(21)24-17-13(18)8-7-9-14(17)19/h7-9H,2-6,10-12H2,1H3 |
| InChIKey | SMEKULMSLOURME-UHFFFAOYSA-N |
| Molecular Weight | 377.264 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OC1=C(C=CC=C1Cl)Cl |