| SpectraBase Spectrum ID |
IZFa5g2WpVc |
| Name |
1,3-Benzenediol, o-(6-bromohexanoyl)-o'-(2-trifluoromethylbenzoyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.034056545 u |
| Formula |
C20H18BrF3O4 |
| InChI |
InChI=1S/C20H18BrF3O4/c21-12-5-1-2-11-18(25)27-14-7-6-8-15(13-14)28-19(26)16-9-3-4-10-17(16)20(22,23)24/h3-4,6-10,13H,1-2,5,11-12H2 |
| InChIKey |
WSRCTNXXTWAZAE-UHFFFAOYSA-N |
| Molecular Weight |
459.259 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C1=CC=CC=C1C(F)(F)F)=O)OC(=O)CCCCCBr |
