| SpectraBase Spectrum ID |
Axo1mfnVjHE |
| Name |
3-Hexanone, 2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-6-[[4-(trifluoromethyl)phenyl]methoxy]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.166411447 u |
| Formula |
C18H22F3N3O2 |
| InChI |
InChI=1S/C18H22F3N3O2/c1-17(2,3)16(25)15(24-12-22-11-23-24)8-9-26-10-13-4-6-14(7-5-13)18(19,20)21/h4-7,11-12,15H,8-10H2,1-3H3 |
| InChIKey |
UMWSGYQITDUQDX-UHFFFAOYSA-N |
| Molecular Weight |
369.388 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(F)(F)F)COCCC(C(C(C)(C)C)=O)N1N=CN=C1 |
![3-Hexanone, 2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-6-[[4-(trifluoromethyl)phenyl]methoxy]-](/api/spectrum/Axo1mfnVjHE/structure.png?h=300&w=458 "3-Hexanone, 2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-6-[[4-(trifluoromethyl)phenyl]methoxy]-")
