![1-[p-Bromophenyl]-4-nitro-1,3-butadiene](/api/spectrum/2hB20rfgQfA/structure.png?h=300&w=458 "1-[p-Bromophenyl]-4-nitro-1,3-butadiene")
| SpectraBase Compound ID | 5N1JxSy1xUV |
|---|---|
| InChI | InChI=1S/C10H8BrNO2/c11-10-6-4-9(5-7-10)3-1-2-8-12(13)14/h1-8H/b3-1+,8-2+ |
| InChIKey | KYPKTCRMOTXJKU-OWEXKTHJSA-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 | 2hB20rfgQfA |
|---|---|
| Name | 1-[p-Bromophenyl]-4-nitro-1,3-butadiene |
| 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/c11-10-6-4-9(5-7-10)3-1-2-8-12(13)14/h1-8H/b3-1+,8-2+ |
| InChIKey | KYPKTCRMOTXJKU-OWEXKTHJSA-N |
| Molecular Weight | 254.083 g/mol |
| SMILES | C1=CC(\C=C\C=C\N(=O)=O)=CC=C1Br |