| SpectraBase Spectrum ID |
D8L7eeI81Xp |
| Name |
(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-phenyl[2.2]paracyclophan-4-yl}thiourea |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H24F6N2S |
| InChI |
InChI=1S/C31H24F6N2S/c32-30(33,34)24-16-25(31(35,36)37)18-26(17-24)38-29(40)39-28-15-20-7-11-22-10-6-19(8-12-23(28)13-9-20)14-27(22)21-4-2-1-3-5-21/h1-6,9-10,13-18H,7-8,11-12H2,(H2,38,39,40) |
| InChIKey |
RHIHJSRKTLXFBB-UHFFFAOYSA-N |
| Molecular Weight |
570.597 g/mol |
| SMILES |
N(C(Nc1c2CCc3cc(-c4ccccc4)c(CCc(c1)cc2)cc3)=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| SPLASH |
splash10-00di-0000090000-37d24d0875744cfe79ba |
| Source of Spectrum |
QC-22-988-7a |
| Wiley ID |
1705218 |
![(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-phenyl[2.2]paracyclophan-4-yl}thiourea](/api/spectrum/D8L7eeI81Xp/structure.png?h=300&w=458 "(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-phenyl[2.2]paracyclophan-4-yl}thiourea")
