| SpectraBase Compound ID | CS5rUf4Nd9K |
|---|---|
| InChI | InChI=1S/C13H11Cl5O4/c1-2-21-6(19)4-3-5-7(20)22-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H2,1H3 |
| InChIKey | BTUGUQUIQVXBBT-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C13H11Cl5O4 |
| Exact Mass | 405.909997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CN7nfbZEX4M |
|---|---|
| Name | Glutaric acid, ethyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.909997330 u |
| Formula | C13H11Cl5O4 |
| InChI | InChI=1S/C13H11Cl5O4/c1-2-21-6(19)4-3-5-7(20)22-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H2,1H3 |
| InChIKey | BTUGUQUIQVXBBT-UHFFFAOYSA-N |
| Molecular Weight | 408.492 g/mol |
| SMILES | C1(=C(C(Cl)=C(OC(CCCC(OCC)=O)=O)C(=C1Cl)Cl)Cl)Cl |