| SpectraBase Spectrum ID |
Dw2pTKWQsgS |
| Name |
1,3-Dimethyl-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-4-nitropyrazole-5-carboxy-3',5'-xylidide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.065709173 u |
| Formula |
C14H10F6N4O3 |
| InChI |
InChI=1S/C14H10F6N4O3/c1-6-10(24(26)27)11(23(2)22-6)12(25)21-9-4-7(13(15,16)17)3-8(5-9)14(18,19)20/h3-5H,1-2H3,(H,21,25) |
| InChIKey |
MOQMIZUOXGSUNZ-UHFFFAOYSA-N |
| Molecular Weight |
396.249 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C=C(C1)NC(C1=C(C(=NN1C)C)N(=O)=O)=O)C(F)(F)F |
