| SpectraBase Compound ID | 7EXubF1V7zX |
|---|---|
| InChI | InChI=1S/C19H27ClO5/c1-2-3-4-5-6-7-12-24-18(21)14-23-15-19(22)25-13-16-8-10-17(20)11-9-16/h8-11H,2-7,12-15H2,1H3 |
| InChIKey | MCRZBZXQCMTAFE-UHFFFAOYSA-N |
| Mol Weight | 370.87 g/mol |
| Molecular Formula | C19H27ClO5 |
| Exact Mass | 370.154702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNd1IWMYFOb |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.154701664 u |
| Formula | C19H27ClO5 |
| InChI | InChI=1S/C19H27ClO5/c1-2-3-4-5-6-7-12-24-18(21)14-23-15-19(22)25-13-16-8-10-17(20)11-9-16/h8-11H,2-7,12-15H2,1H3 |
| InChIKey | MCRZBZXQCMTAFE-UHFFFAOYSA-N |
| Molecular Weight | 370.873 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OCC1=CC=C(C=C1)Cl |