| SpectraBase Spectrum ID |
6p75KNenTqX |
| Name |
(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-(3,5-dihydroxyphenyl)[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 |
C31H24F6N2O2S |
| InChI |
InChI=1S/C31H24F6N2O2S/c32-30(33,34)22-13-23(31(35,36)37)15-24(14-22)38-29(42)39-28-10-18-2-6-19-5-1-17(3-7-20(28)8-4-18)9-27(19)21-11-25(40)16-26(41)12-21/h1,4-5,8-16,40-41H,2-3,6-7H2,(H2,38,39,42) |
| InChIKey |
SRVAZAYYHJJTQL-UHFFFAOYSA-N |
| Molecular Weight |
602.595 g/mol |
| SMILES |
N(C(Nc1c2CCc3cc(-c4cc(cc(c4)O)O)c(CCc(c1)cc2)cc3)=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| SPLASH |
splash10-0udi-0000009000-8b2e9fa8143a9cc79cdd |
| Source of Spectrum |
QC-22-988-7c |
| Wiley ID |
1705217 |
![(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-(3,5-dihydroxyphenyl)[2.2]paracyclophan-4-yl}thiourea](/api/spectrum/6p75KNenTqX/structure.png?h=300&w=458 "(Sp)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-{12-(3,5-dihydroxyphenyl)[2.2]paracyclophan-4-yl}thiourea")
