| SpectraBase Compound ID | IOPeA51XbVm |
|---|---|
| InChI | InChI=1S/C15H10BrClO3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2 |
| InChIKey | KHERUXIUHUYJMN-UHFFFAOYSA-N |
| Mol Weight | 353.6 g/mol |
| Molecular Formula | C15H10BrClO3 |
| Exact Mass | 351.950185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96TdtONM6H2 |
|---|---|
| Name | o-Chlorobenzoic acid, p-bromophenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.950184879 u |
| Formula | C15H10BrClO3 |
| InChI | InChI=1S/C15H10BrClO3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2 |
| InChIKey | KHERUXIUHUYJMN-UHFFFAOYSA-N |
| Molecular Weight | 353.599 g/mol |
| SMILES | C=1C(=C(C=CC1)Cl)C(OCC(C=1C=CC(=CC1)Br)=O)=O |