| SpectraBase Compound ID | Z4jsi6l1nD |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-10(2)6-7-22-14(20)4-3-5-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-10H,3-7H2,1-2H3 |
| InChIKey | JNHTUTYGPWSTOV-UHFFFAOYSA-N |
| Mol Weight | 381.68 g/mol |
| Molecular Formula | C16H19Cl3O4 |
| Exact Mass | 380.034892 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 | 1WYwy2I9yjg |
|---|---|
| Name | Glutaric acid, 2,4,6-trichlorophenyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.034892188 u |
| Formula | C16H19Cl3O4 |
| InChI | InChI=1S/C16H19Cl3O4/c1-10(2)6-7-22-14(20)4-3-5-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-10H,3-7H2,1-2H3 |
| InChIKey | JNHTUTYGPWSTOV-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCCC(C)C)=O |