| SpectraBase Spectrum ID |
FH1GVhM1dR7 |
| Name |
Trans-1,1',2,2'-tetra-bromo-1,1',2,2'-tetrahydro-4,4'-bi(benzocyclobutenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.751602322 u |
| Formula |
C16H10Br4 |
| InChI |
InChI=1S/C16H10Br4/c17-13-9-3-1-7(5-11(9)15(13)19)8-2-4-10-12(6-8)16(20)14(10)18/h1-6,13-16H |
| InChIKey |
ULRCXIBZVPMXKY-UHFFFAOYSA-N |
| Molecular Weight |
521.872 g/mol |
| SMILES |
C12=C(C=CC(C3=CC=4C(Br)C(C4C=C3)Br)=C2)C(C1Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871526 |
