| SpectraBase Compound ID | 4136MBrlVuV |
|---|---|
| InChI | InChI=1S/C13H16BrClO2/c14-12-7-5-11(6-8-12)13(16)17-10-4-2-1-3-9-15/h5-8H,1-4,9-10H2 |
| InChIKey | YXGVFZUAEKBRCS-UHFFFAOYSA-N |
| Mol Weight | 319.63 g/mol |
| Molecular Formula | C13H16BrClO2 |
| Exact Mass | 318.00222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHKJmrwlOqH |
|---|---|
| Name | 4-Bromobenzoic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.002220453 u |
| Formula | C13H16BrClO2 |
| InChI | InChI=1S/C13H16BrClO2/c14-12-7-5-11(6-8-12)13(16)17-10-4-2-1-3-9-15/h5-8H,1-4,9-10H2 |
| InChIKey | YXGVFZUAEKBRCS-UHFFFAOYSA-N |
| Molecular Weight | 319.626 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OCCCCCCCl)Br |