| SpectraBase Compound ID | LXmCEAm2oLh |
|---|---|
| InChI | InChI=1S/C13H7BrCl2O2/c14-9-3-1-2-8(6-9)13(17)18-10-4-5-11(15)12(16)7-10/h1-7H |
| InChIKey | PHBPGBKWKJBKOG-UHFFFAOYSA-N |
| Mol Weight | 346.01 g/mol |
| Molecular Formula | C13H7BrCl2O2 |
| Exact Mass | 343.900648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oV7zw8q50S |
|---|---|
| Name | 3-Bromobenzoic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.900647863 u |
| Formula | C13H7BrCl2O2 |
| InChI | InChI=1S/C13H7BrCl2O2/c14-9-3-1-2-8(6-9)13(17)18-10-4-5-11(15)12(16)7-10/h1-7H |
| InChIKey | PHBPGBKWKJBKOG-UHFFFAOYSA-N |
| Molecular Weight | 346.007 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)Br |