| SpectraBase Compound ID | DHeu9ZPHZPI |
|---|---|
| InChI | InChI=1S/C15H19ClO5/c1-11(2)7-20-14(17)9-19-10-15(18)21-8-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | GNXNJKXFDAZWEX-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 | Af516h656h6 |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl isobutyl 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/c1-11(2)7-20-14(17)9-19-10-15(18)21-8-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | GNXNJKXFDAZWEX-UHFFFAOYSA-N |
| Molecular Weight | 314.765 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCC1=CC=C(C=C1)Cl |