| SpectraBase Spectrum ID |
5xKAYeqiOju |
| Name |
9'-(5-Bromo-2,4-dimethoxybenzylidene)fluorene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.041192785 u |
| Formula |
C22H17BrO2 |
| InChI |
InChI=1S/C22H17BrO2/c1-24-21-13-22(25-2)20(23)12-14(21)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-13H,1-2H3 |
| InChIKey |
PMBNONFMQXRYMJ-UHFFFAOYSA-N |
| Molecular Weight |
393.280 g/mol |
| SMILES |
C1(=CC=2C(=CC(=C(C2)Br)OC)OC)C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864542 |
