| SpectraBase Compound ID | 1cq3rZukxkX |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-2-8-20-11(18)4-3-5-12(19)21-14-10(16)7-6-9(15)13(14)17/h6-7H,2-5,8H2,1H3 |
| InChIKey | LHXDDVNFJLEEHO-UHFFFAOYSA-N |
| Mol Weight | 353.63 g/mol |
| Molecular Formula | C14H15Cl3O4 |
| Exact Mass | 352.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8p0IuyG6iiw |
|---|---|
| Name | Glutaric acid, propyl 2,3,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.003592059 u |
| Formula | C14H15Cl3O4 |
| InChI | InChI=1S/C14H15Cl3O4/c1-2-8-20-11(18)4-3-5-12(19)21-14-10(16)7-6-9(15)13(14)17/h6-7H,2-5,8H2,1H3 |
| InChIKey | LHXDDVNFJLEEHO-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | CCCOC(CCCC(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)=O |