| SpectraBase Compound ID | AUnzkBkgZPu |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-2-3-7-21-13(19)5-4-6-14(20)22-12-9-10(16)8-11(17)15(12)18/h8-9H,2-7H2,1H3 |
| InChIKey | BFSNKTXQSJTOBP-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 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 | 3zqL3X2HqAD |
|---|---|
| Name | Glutaric acid, butyl 2,3,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-2-3-7-21-13(19)5-4-6-14(20)22-12-9-10(16)8-11(17)15(12)18/h8-9H,2-7H2,1H3 |
| InChIKey | BFSNKTXQSJTOBP-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | CCCCOC(CCCC(OC1=CC(=CC(=C1Cl)Cl)Cl)=O)=O |