| SpectraBase Compound ID | 9loiKeZrhIi |
|---|---|
| InChI | InChI=1S/C10H7BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+ |
| InChIKey | CJNVLFPUEBQQMZ-AATRIKPKSA-N |
| Mol Weight | 255.07 g/mol |
| Molecular Formula | C10H7BrO3 |
| Exact Mass | 253.957857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3s8fnPQGqlw |
|---|---|
| Name | (2E)-4-(4-Bromophenyl)-4-oxo-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.957857082 u |
| Formula | C10H7BrO3 |
| InChI | InChI=1S/C10H7BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+ |
| InChIKey | CJNVLFPUEBQQMZ-AATRIKPKSA-N |
| Molecular Weight | 255.067 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C(=O)\C=C\C(=O)O |