| SpectraBase Spectrum ID |
6qnWlpQaAbH |
| Name |
1,2-Benzenediol, o-(2-(trifluoromethyl)benzoyl)-o'-(6-bromohexanoyl)- |
| 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/c21-13-7-1-2-12-18(25)27-16-10-5-6-11-17(16)28-19(26)14-8-3-4-9-15(14)20(22,23)24/h3-6,8-11H,1-2,7,12-13H2 |
| InChIKey |
NMFAJQSDKUSNPC-UHFFFAOYSA-N |
| Molecular Weight |
459.259 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)CCCCCBr)OC(=O)C1=C(C=CC=C1)C(F)(F)F |
