SpectraBase Spectrum ID |
7HmddeMDSVZ |
Name |
Bicyclo[4.2.0]octa-1,3,5-triene, 7-bicyclo[4.2.0]octa-1,3,5-trien-7-ylidene-8-bromo-, (E)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.004413354 u |
Formula |
C16H11Br |
InChI |
InChI=1S/C16H11Br/c17-16-13-8-4-3-7-12(13)15(16)14-9-10-5-1-2-6-11(10)14/h1-8,16H,9H2/b15-14+ |
InChIKey |
YYZDZZZZEOYKNF-CCEZHUSRSA-N |
SMILES |
C1=2\C(=C/3C4=CC=CC=C4C3Br)CC1=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984481 |