| SpectraBase Compound ID | 7OCkWCImVoF |
|---|---|
| InChI | InChI=1S/C14H17ClO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | XQYILQLTZDKKCY-UHFFFAOYSA-N |
| Mol Weight | 300.74 g/mol |
| Molecular Formula | C14H17ClO5 |
| Exact Mass | 300.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8QhliHS2drh |
|---|---|
| Name | Diglycolic acid, 4-chlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.076451342 u |
| Formula | C14H17ClO5 |
| InChI | InChI=1S/C14H17ClO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | XQYILQLTZDKKCY-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=CC=C(C=C1)Cl |