| SpectraBase Spectrum ID |
ED2Y8RZq9y8 |
| Name |
1,8-di{2-[3-(Bromomethyl)phenyl]-1-ethynyl}anthracene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.993176644 u |
| Formula |
C32H20Br2 |
| InChI |
InChI=1S/C32H20Br2/c33-21-25-7-1-5-23(17-25)13-15-27-9-3-11-29-19-30-12-4-10-28(32(30)20-31(27)29)16-14-24-6-2-8-26(18-24)22-34/h1-12,17-20H,21-22H2 |
| InChIKey |
NGYBKUKRNLYQOU-UHFFFAOYSA-N |
| Molecular Weight |
564.320 g/mol |
| SMILES |
C(#CC1=CC(CBr)=CC=C1)C=1C2=CC=3C(C#CC4=CC(CBr)=CC=C4)=CC=CC3C=C2C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930577 |
![1,8-Di{2-[3-(bromomethyl)phenyl]-1-ethynyl}anthracene](/api/spectrum/ED2Y8RZq9y8/structure.png?h=300&w=458 "1,8-Di{2-[3-(bromomethyl)phenyl]-1-ethynyl}anthracene")
