| SpectraBase Compound ID | K6SfjE1HcXE |
|---|---|
| InChI | InChI=1S/C14H8BrNO2/c15-13-4-2-1-3-12(13)14(17)18-11-7-5-10(9-16)6-8-11/h1-8H |
| InChIKey | FTWDNCKSYUFQEQ-UHFFFAOYSA-N |
| Mol Weight | 302.13 g/mol |
| Molecular Formula | C14H8BrNO2 |
| Exact Mass | 300.973841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LaYyyHTtZKh |
|---|---|
| Name | 2-Bromobenzoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.973841500 u |
| Formula | C14H8BrNO2 |
| InChI | InChI=1S/C14H8BrNO2/c15-13-4-2-1-3-12(13)14(17)18-11-7-5-10(9-16)6-8-11/h1-8H |
| InChIKey | FTWDNCKSYUFQEQ-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(=C1)C(OC1=CC=C(C#N)C=C1)=O)Br |