| SpectraBase Compound ID | 3Ori0TRdhP1 |
|---|---|
| InChI | InChI=1S/C10H8BrCl3O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2 |
| InChIKey | GQVNSYWBIORPPC-UHFFFAOYSA-N |
| Mol Weight | 346.44 g/mol |
| Molecular Formula | C10H8BrCl3O2 |
| Exact Mass | 343.877326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6zNTSkv3ZJ |
|---|---|
| Name | 4-Bromobutyric acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.877325596 u |
| Formula | C10H8BrCl3O2 |
| InChI | InChI=1S/C10H8BrCl3O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2 |
| InChIKey | GQVNSYWBIORPPC-UHFFFAOYSA-N |
| Molecular Weight | 346.435 g/mol |
| SMILES | C(CCCBr)(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |