| SpectraBase Compound ID | KIP0IhM5srF |
|---|---|
| InChI | InChI=1S/C15H11Br2NO4/c16-12-8-11(18(20)21)9-13(17)15(12)22-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | XVMQHWPLVGDJJX-UHFFFAOYSA-N |
| Mol Weight | 429.06 g/mol |
| Molecular Formula | C15H11Br2NO4 |
| Exact Mass | 426.905484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGF8HCTKrdU |
|---|---|
| Name | 2,6-Dibromo-4-nitrophenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.905483834 u |
| Formula | C15H11Br2NO4 |
| InChI | InChI=1S/C15H11Br2NO4/c16-12-8-11(18(20)21)9-13(17)15(12)22-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | XVMQHWPLVGDJJX-UHFFFAOYSA-N |
| Molecular Weight | 429.064 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(=O)OC1=C(C=C(C=C1Br)N(=O)=O)Br |