| SpectraBase Spectrum ID |
5Yzs6620ZKK |
| Name |
[(E)-1,1,4,4-Tetrabromo-3-phenylbut-2-en-2-yl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
519.767252386 u |
| Formula |
C16H12Br4 |
| InChI |
InChI=1S/C16H12Br4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,15-16H/b14-13+ |
| InChIKey |
SKHYIGMMWWDPNN-BUHFOSPRSA-N |
| Molecular Weight |
523.888 g/mol |
| SMILES |
C(\C(=C\(C(Br)Br)C=1C=CC=CC1)C1=CC=CC=C1)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930279 |
![[(E)-1,1,4,4-tetrabromo-3-phenylbut-2-en-2-yl]benzene](/api/spectrum/5Yzs6620ZKK/structure.png?h=300&w=458 "[(E)-1,1,4,4-tetrabromo-3-phenylbut-2-en-2-yl]benzene")
