| SpectraBase Spectrum ID |
RiKMti4RjD |
| Name |
1-(2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[1-(methylthio)-2-nitrovinyl]-piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.061688848 u |
| Formula |
C14H14F3N5O6S |
| InChI |
InChI=1S/C14H14F3N5O6S/c1-29-12(8-20(23)24)18-2-4-19(5-3-18)13-10(21(25)26)6-9(14(15,16)17)7-11(13)22(27)28/h6-8H,2-5H2,1H3 |
| InChIKey |
LZKAWURJIUGICL-UHFFFAOYSA-N |
| Molecular Weight |
437.350 g/mol |
| SMILES |
C=1(C(=C(C=C(C1)C(F)(F)F)N(=O)=O)N1CCN(C(SC)=CN(=O)=O)CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.992127 |
![1-(2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[1-(methylthio)-2-nitrovinyl]-piperazine](/api/spectrum/RiKMti4RjD/structure.png?h=300&w=458 "1-(2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[1-(methylthio)-2-nitrovinyl]-piperazine")
