| SpectraBase Compound ID | 81p4v92RGd2 |
|---|---|
| InChI | InChI=1S/C11H11BrCl2O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2 |
| InChIKey | CVDJYPSWURIDQF-UHFFFAOYSA-N |
| Mol Weight | 326.02 g/mol |
| Molecular Formula | C11H11BrCl2O2 |
| Exact Mass | 323.931948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7J8LTOJO2Qo |
|---|---|
| Name | 5-Bromovaleric acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.931947992 u |
| Formula | C11H11BrCl2O2 |
| InChI | InChI=1S/C11H11BrCl2O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2 |
| InChIKey | CVDJYPSWURIDQF-UHFFFAOYSA-N |
| Molecular Weight | 326.017 g/mol |
| SMILES | C1(=C(C=C(C=C1)OC(CCCCBr)=O)Cl)Cl |