| SpectraBase Compound ID | J6CzKYCX46z |
|---|---|
| InChI | InChI=1S/C9H8BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3 |
| InChIKey | LOVOFTZGZYJDIM-UHFFFAOYSA-N |
| Mol Weight | 274.07 g/mol |
| Molecular Formula | C9H8BrNO4 |
| Exact Mass | 272.963671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YPPHCCCer8 |
|---|---|
| Name | 2-Bromopropionic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.963670738 u |
| Formula | C9H8BrNO4 |
| InChI | InChI=1S/C9H8BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3 |
| InChIKey | LOVOFTZGZYJDIM-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC1=CC=C(C=C1)N(=O)=O)(Br)C |