| SpectraBase Compound ID | EU5JtaPFMMH |
|---|---|
| InChI | InChI=1S/C9H6BrNO2/c10-5-9(12)13-8-3-1-7(6-11)2-4-8/h1-4H,5H2 |
| InChIKey | XKCMGGJNGDRKOD-UHFFFAOYSA-N |
| Mol Weight | 240.06 g/mol |
| Molecular Formula | C9H6BrNO2 |
| Exact Mass | 238.958191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3DxTEkGxni |
|---|---|
| Name | Bromoacetic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.958191435 u |
| Formula | C9H6BrNO2 |
| InChI | InChI=1S/C9H6BrNO2/c10-5-9(12)13-8-3-1-7(6-11)2-4-8/h1-4H,5H2 |
| InChIKey | XKCMGGJNGDRKOD-UHFFFAOYSA-N |
| Molecular Weight | 240.056 g/mol |
| SMILES | C(C1=CC=C(OC(CBr)=O)C=C1)#N |