SpectraBase Spectrum ID |
1qi5HFfnyrZ |
Name |
alpha-(1,3,5-Trimethylpyrazol-4-yl)-p-cresol, m-(trifluoromethyl)carbanilate (ester) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
403.150761383 u |
Formula |
C21H20F3N3O2 |
InChI |
InChI=1S/C21H20F3N3O2/c1-13-19(14(2)27(3)26-13)11-15-7-9-18(10-8-15)29-20(28)25-17-6-4-5-16(12-17)21(22,23)24/h4-10,12H,11H2,1-3H3,(H,25,28) |
InChIKey |
SDVXOUOOBLTDTN-UHFFFAOYSA-N |
Molecular Weight |
403.405 g/mol |
SMILES |
CC=1C(=C(N(N1)C)C)CC1=CC=C(OC(=O)NC2=CC=CC(=C2)C(F)(F)F)C=C1 |