| SpectraBase Spectrum ID |
7g3YSIig8Y6 |
| Name |
1-(2,6-Dinitro-4-trifluoromethyl-phenyl)-4-methanesulfonyl-piperazine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.050789812 u |
| Formula |
C12H13F3N4O6S |
| InChI |
InChI=1S/C12H13F3N4O6S/c1-26(24,25)17-4-2-16(3-5-17)11-9(18(20)21)6-8(12(13,14)15)7-10(11)19(22)23/h6-7H,2-5H2,1H3 |
| InChIKey |
JRQQXOSKDPAGRG-UHFFFAOYSA-N |
| Molecular Weight |
398.313 g/mol |
| SMILES |
C1(=C(C(N(=O)=O)=CC(=C1)C(F)(F)F)N1CCN(S(C)(=O)=O)CC1)N(=O)=O |
