| SpectraBase Compound ID | 1a9HVpxL2b2 |
|---|---|
| InChI | InChI=1S/C17H23ClO5/c1-2-3-4-5-6-11-22-16(19)12-21-13-17(20)23-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | SAQFZRUZIJDIAH-UHFFFAOYSA-N |
| Mol Weight | 342.82 g/mol |
| Molecular Formula | C17H23ClO5 |
| Exact Mass | 342.123402 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 | 5R82Y0B0yh7 |
|---|---|
| Name | Diglycolic acid, 4-chlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.123401536 u |
| Formula | C17H23ClO5 |
| InChI | InChI=1S/C17H23ClO5/c1-2-3-4-5-6-11-22-16(19)12-21-13-17(20)23-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | SAQFZRUZIJDIAH-UHFFFAOYSA-N |
| Molecular Weight | 342.819 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OC1=CC=C(C=C1)Cl |