| SpectraBase Compound ID | 1SNQ1Vdsibx |
|---|---|
| InChI | InChI=1S/C16H21ClO5/c1-12(2)4-3-9-21-15(18)10-20-11-16(19)22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | UQXLZYZFNQECJY-UHFFFAOYSA-N |
| Mol Weight | 328.79 g/mol |
| Molecular Formula | C16H21ClO5 |
| Exact Mass | 328.107751 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 | CKfpYPfWdU4 |
|---|---|
| Name | Diglycolic acid, 4-chlorophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.107751471 u |
| Formula | C16H21ClO5 |
| InChI | InChI=1S/C16H21ClO5/c1-12(2)4-3-9-21-15(18)10-20-11-16(19)22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | UQXLZYZFNQECJY-UHFFFAOYSA-N |
| Molecular Weight | 328.792 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OC1=CC=C(C=C1)Cl |