SpectraBase Spectrum ID |
ACig0FQK1jo |
Name |
2-[(8-Phenyl-9H-purin-6-yl)thio]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole |
Appearance |
Yellow solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H11F3N6OS |
InChI |
InChI=1S/C20H11F3N6OS/c21-20(22,23)13-8-6-12(7-9-13)17-28-29-19(30-17)31-18-14-16(24-10-25-18)27-15(26-14)11-4-2-1-3-5-11/h1-10H,(H,24,25,26,27) |
InChIKey |
DZZZDNBWKPYUDK-UHFFFAOYSA-N |
Instrument Name |
Thermofinnigan MAT95XL |
Ionization Type |
EI |
Molecular Weight |
440.404 g/mol |
SMILES |
[nH]1c2c(nc1-c1ccccc1)c(ncn2)Sc1oc(nn1)-c1ccc(cc1)C(F)(F)F |
SPLASH |
splash10-014i-0290000000-382569ee316848496c5e |
Source of Spectrum |
WO2014079545A1 |
Wiley ID |
1850018 |