| SpectraBase Spectrum ID |
IQJvmaSRyG8 |
| Name |
(E)-(1-Bromo-2-butylbut-1-ene-1,3-diyl)dibenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.098313741 u |
| Formula |
C20H23Br |
| InChI |
InChI=1S/C20H23Br/c1-3-4-15-19(16(2)17-11-7-5-8-12-17)20(21)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3/b20-19+ |
| InChIKey |
PGNZQGFKSHLHIW-FMQUCBEESA-N |
| Molecular Weight |
343.308 g/mol |
| SMILES |
C1(\C(=C/(C(C2=CC=CC=C2)C)CCCC)Br)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966803 |
