| SpectraBase Compound ID | FBwPtwyATKs |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12) |
| InChIKey | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfz6uvdzW49 |
|---|---|
| Name | 3-(4-Bromophenyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12) |
| InChIKey | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | OC(CCC1=CC=C(C=C1)Br)=O |