| SpectraBase Compound ID | 71POIhQ8atk |
|---|---|
| InChI | InChI=1S/C15H15Cl5O4/c1-7(2)6-23-8(21)4-3-5-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h7H,3-6H2,1-2H3 |
| InChIKey | RRRKJOCBHJXELM-UHFFFAOYSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C15H15Cl5O4 |
| Exact Mass | 433.941297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3D4ue9AiTsq |
|---|---|
| Name | Glutaric acid, isobutyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.941297459 u |
| Formula | C15H15Cl5O4 |
| InChI | InChI=1S/C15H15Cl5O4/c1-7(2)6-23-8(21)4-3-5-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h7H,3-6H2,1-2H3 |
| InChIKey | RRRKJOCBHJXELM-UHFFFAOYSA-N |
| Molecular Weight | 436.546 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)=O |