| SpectraBase Compound ID | 9DFKzA3WKY1 |
|---|---|
| InChI | InChI=1S/C10H8Cl4O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2 |
| InChIKey | XMAYIRLGYAMNQD-UHFFFAOYSA-N |
| Mol Weight | 302.0 g/mol |
| Molecular Formula | C10H8Cl4O2 |
| Exact Mass | 299.92784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pcrsrEDrUb |
|---|---|
| Name | 4-Chlorobutyric acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.927840296 u |
| Formula | C10H8Cl4O2 |
| InChI | InChI=1S/C10H8Cl4O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2 |
| InChIKey | XMAYIRLGYAMNQD-UHFFFAOYSA-N |
| Molecular Weight | 301.984 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(CCCCl)=O)Cl |