| SpectraBase Compound ID | BvvjeF4kZgU |
|---|---|
| InChI | InChI=1S/C10H8BrNO2/c1-7(11)10(13)14-9-4-2-8(6-12)3-5-9/h2-5,7H,1H3 |
| InChIKey | FAAGNDLVLVABEZ-UHFFFAOYSA-N |
| Mol Weight | 254.08 g/mol |
| Molecular Formula | C10H8BrNO2 |
| Exact Mass | 252.973841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LaP6Or6POSQ |
|---|---|
| Name | 2-Bromopropionic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.973841500 u |
| Formula | C10H8BrNO2 |
| InChI | InChI=1S/C10H8BrNO2/c1-7(11)10(13)14-9-4-2-8(6-12)3-5-9/h2-5,7H,1H3 |
| InChIKey | FAAGNDLVLVABEZ-UHFFFAOYSA-N |
| Molecular Weight | 254.083 g/mol |
| SMILES | C(C(=O)OC1=CC=C(C#N)C=C1)(Br)C |