| SpectraBase Compound ID | FJh9DreGqP |
|---|---|
| InChI | InChI=1S/C15H11Cl5O4/c1-3-7(2)23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h1,7H,4-6H2,2H3 |
| InChIKey | ZGHHBCXCAUWPMI-UHFFFAOYSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C15H11Cl5O4 |
| Exact Mass | 429.909997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2i6Rk4bimfy |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.909997330 u |
| Formula | C15H11Cl5O4 |
| InChI | InChI=1S/C15H11Cl5O4/c1-3-7(2)23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h1,7H,4-6H2,2H3 |
| InChIKey | ZGHHBCXCAUWPMI-UHFFFAOYSA-N |
| Molecular Weight | 432.514 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O |