| SpectraBase Compound ID | 9qzS4HpVhWs |
|---|---|
| InChI | InChI=1S/C13H16BrClO2/c1-10-9-11(6-7-12(10)15)17-13(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | DXDFFIOGALSFEK-UHFFFAOYSA-N |
| Mol Weight | 319.63 g/mol |
| Molecular Formula | C13H16BrClO2 |
| Exact Mass | 318.00222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CYkIoU2LtUu |
|---|---|
| Name | 6-Bromocaproic acid, 3-methyl-4-chlorophenyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16BrClO2 |
| InChI | InChI=1S/C13H16BrClO2/c1-10-9-11(6-7-12(10)15)17-13(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | DXDFFIOGALSFEK-UHFFFAOYSA-N |
| Molecular Weight | 319.626 g/mol |
| SMILES | C(CCCCCBr)(Oc1cc(c(cc1)Cl)C)=O |
| SPLASH | splash10-0006-6900000000-e053d6f7d2afbb4500d2 |
| Source of Spectrum | TIPS-2023-91-0 |
| Wiley ID | 1884799 |