| SpectraBase Compound ID | 1VzS8OM20iL |
|---|---|
| InChI | InChI=1S/C11H10BrNO2/c12-7-1-2-11(14)15-10-5-3-9(8-13)4-6-10/h3-6H,1-2,7H2 |
| InChIKey | GRWOXAONZBZBSY-UHFFFAOYSA-N |
| Mol Weight | 268.11 g/mol |
| Molecular Formula | C11H10BrNO2 |
| Exact Mass | 266.989492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBPJxEH1grS |
|---|---|
| Name | 4-Bromobutyric acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.989491564 u |
| Formula | C11H10BrNO2 |
| InChI | InChI=1S/C11H10BrNO2/c12-7-1-2-11(14)15-10-5-3-9(8-13)4-6-10/h3-6H,1-2,7H2 |
| InChIKey | GRWOXAONZBZBSY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC(CCCBr)=O)C=C1)#N |