| SpectraBase Compound ID | Ar77FmccaGZ |
|---|---|
| InChI | InChI=1S/C15H19ClO5/c1-2-3-8-20-14(17)10-19-11-15(18)21-9-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3 |
| InChIKey | CGHQYYYLFOHJOR-UHFFFAOYSA-N |
| Mol Weight | 314.77 g/mol |
| Molecular Formula | C15H19ClO5 |
| Exact Mass | 314.092101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66a1xYWFOoD |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.092101407 u |
| Formula | C15H19ClO5 |
| InChI | InChI=1S/C15H19ClO5/c1-2-3-8-20-14(17)10-19-11-15(18)21-9-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3 |
| InChIKey | CGHQYYYLFOHJOR-UHFFFAOYSA-N |
| Molecular Weight | 314.765 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCC1=CC=C(C=C1)Cl |