| SpectraBase Spectrum ID |
BVR3IXyA5GZ |
| Name |
1-{4-[(4-Ethoxyphenoxy)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 |
422.145341649 u |
| Formula |
C21H21F3N2O4 |
| InChI |
InChI=1S/C21H21F3N2O4/c1-3-29-17-8-10-18(11-9-17)30-13-15-4-6-16(7-5-15)19(27)26-20(28,21(22,23)24)12-14(2)25-26/h4-11,28H,3,12-13H2,1-2H3 |
| InChIKey |
CLGIORWGVRNLPT-UHFFFAOYSA-N |
| Molecular Weight |
422.404 g/mol |
| SMILES |
OC1(N(N=C(C)C1)C(C1=CC=C(C=C1)COC=1C=CC(=CC1)OCC)=O)C(F)(F)F |
![1-{4-[(4-ethoxyphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol](/api/spectrum/BVR3IXyA5GZ/structure.png?h=300&w=458 "1-{4-[(4-ethoxyphenoxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol")
