| SpectraBase Spectrum ID |
DHUcESTvsvF |
| Name |
1,1'-Biphenyl, 2-[1-[3-bromo-5-(1-methylethyl)phenyl]-1,3-butadienyl]-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.098313741 u |
| Formula |
C25H23Br |
| InChI |
InChI=1S/C25H23Br/c1-4-10-23(21-15-20(18(2)3)16-22(26)17-21)25-14-9-8-13-24(25)19-11-6-5-7-12-19/h4-18H,1H2,2-3H3/b23-10+ |
| InChIKey |
XMOYVGNTCAXDQP-AUEPDCJTSA-N |
| Molecular Weight |
403.363 g/mol |
| SMILES |
C1(\C(C=2C(C=3C=CC=CC3)=CC=CC2)=C/C=C)=CC(C(C)C)=CC(=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873134 |
![1,1'-Biphenyl, 2-[1-[3-bromo-5-(1-methylethyl)phenyl]-1,3-butadienyl]-, (E)-](/api/spectrum/DHUcESTvsvF/structure.png?h=300&w=458 "1,1'-Biphenyl, 2-[1-[3-bromo-5-(1-methylethyl)phenyl]-1,3-butadienyl]-, (E)-")
