| SpectraBase Compound ID | Belsf0T1P4Y |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-2-3-9-21-12(19)5-4-6-13(20)22-15-11(17)8-7-10(16)14(15)18/h7-8H,2-6,9H2,1H3 |
| InChIKey | VHBQLSXAKGWDIS-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98BG2dyPYtf |
|---|---|
| Name | Glutaric acid, butyl 2,3,6-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/c1-2-3-9-21-12(19)5-4-6-13(20)22-15-11(17)8-7-10(16)14(15)18/h7-8H,2-6,9H2,1H3 |
| InChIKey | VHBQLSXAKGWDIS-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | CCCCOC(CCCC(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)=O |