| SpectraBase Spectrum ID |
FknFfdHX6FN |
| Name |
3-(Dibromomethylidene)-1,5-bis(p-methoxyphenyl)penta-1,4-diyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.936055689 u |
| Formula |
C20H14Br2O2 |
| InChI |
InChI=1S/C20H14Br2O2/c1-23-18-11-5-15(6-12-18)3-9-17(20(21)22)10-4-16-7-13-19(24-2)14-8-16/h5-8,11-14H,1-2H3 |
| InChIKey |
RLOPVRIGCRWCFF-UHFFFAOYSA-N |
| Molecular Weight |
446.138 g/mol |
| SMILES |
C(#CC(C#CC=1C=CC(=CC1)OC)=C(Br)Br)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942961 |
