| SpectraBase Spectrum ID |
LC8DyDOQ9mZ |
| Name |
4,4',5,5'-tetrakis( Trifluoromethyl)-2,2'-(piperazine-1,4-diyl) bis(1,3-dithiolium)-bis( trifluoromethanesulfonate ) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H8F18N2O6S6 |
| InChI |
InChI=1S/C14H8F12N2S4.2CHF3O3S/c15-11(16,17)5-6(12(18,19)20)30-9(29-5)27-1-2-28(4-3-27)10-31-7(13(21,22)23)8(32-10)14(24,25)26;2*2-1(3,4)8(5,6)7/h1-4H2;2*(H,5,6,7)/q+2;;/p-2 |
| InChIKey |
WVZIBYZNUNDKOX-UHFFFAOYSA-L |
| Molecular Weight |
858.579 g/mol |
| SMILES |
C(S([O-])(=O)=O)(F)(F)F.c1([s+]c(N2CCN(c3[s+]c(C(F)(F)F)c(s3)C(F)(F)F)CC2)sc1C(F)(F)F)C(F)(F)F.C(S([O-])(=O)=O)(F)(F)F |
| SPLASH |
splash10-014i-9000000000-905d90397a5776020bd5 |
| Source of Spectrum |
K-126-2117-11e |
| Wiley ID |
1406681 |
