| SpectraBase Compound ID | In0BLEz4yhq |
|---|---|
| InChI | InChI=1S/C12H13ClO5/c1-2-17-11(14)7-16-8-12(15)18-10-5-3-4-9(13)6-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | SGBAQKDNTLOOIG-UHFFFAOYSA-N |
| Mol Weight | 272.68 g/mol |
| Molecular Formula | C12H13ClO5 |
| Exact Mass | 272.045151 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 | 1SfLEvRTLiM |
|---|---|
| Name | Diglycolic acid, 3-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.045151214 u |
| Formula | C12H13ClO5 |
| InChI | InChI=1S/C12H13ClO5/c1-2-17-11(14)7-16-8-12(15)18-10-5-3-4-9(13)6-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | SGBAQKDNTLOOIG-UHFFFAOYSA-N |
| Molecular Weight | 272.684 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OC1=CC(=CC=C1)Cl |