| SpectraBase Spectrum ID |
Ec6t4WRG8YI |
| Name |
1-{4-[(3,4-Dimethylphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.150427030 u |
| Formula |
C21H21F3N2O3 |
| InChI |
InChI=1S/C21H21F3N2O3/c1-13-4-9-18(10-14(13)2)29-12-16-5-7-17(8-6-16)19(27)26-20(28,21(22,23)24)11-15(3)25-26/h4-10,28H,11-12H2,1-3H3 |
| InChIKey |
UWLUJYPRZNBXHO-UHFFFAOYSA-N |
| Molecular Weight |
406.405 g/mol |
| SMILES |
OC1(N(N=C(C)C1)C(C=1C=CC(=CC1)COC1=CC(C)=C(C=C1)C)=O)C(F)(F)F |
![1-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol](/api/spectrum/Ec6t4WRG8YI/structure.png?h=300&w=458 "1-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol")
