| SpectraBase Compound ID | 69877CUG964 |
|---|---|
| InChI | InChI=1S/C17H15Br/c1-14(13-16-5-3-2-4-6-16)7-8-15-9-11-17(18)12-10-15/h2-13H,1H3/b8-7+,14-13+ |
| InChIKey | JJIHSQWQDUMRCX-SCCLZRITSA-N |
| Mol Weight | 299.21 g/mol |
| Molecular Formula | C17H15Br |
| Exact Mass | 298.035713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3J7THrSqC9 |
|---|---|
| Name | 2-Methyl-1-phenyl-4-(4-chloro)-phenyl-1,3-butadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.035713483 u |
| Formula | C17H15Br |
| InChI | InChI=1S/C17H15Br/c1-14(13-16-5-3-2-4-6-16)7-8-15-9-11-17(18)12-10-15/h2-13H,1H3/b8-7+,14-13+ |
| InChIKey | JJIHSQWQDUMRCX-SCCLZRITSA-N |
| SMILES | C=1(\C=C\C(=C\C=2C=CC=CC2)C)C=CC(=CC1)Br |