SpectraBase Spectrum ID |
An1fs0z3T55 |
Name |
(2-Iodo-1,1-dimethyl-1H-cyclopenta[l]phenanthren-3-yl) (p-tolyl) sulfide |
Appearance |
Pale yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H19IS |
InChI |
InChI=1S/C22H19IS/c1-14-8-11-16(12-9-14)24-20-19-17-7-5-4-6-15(17)10-13-18(19)22(2,3)21(20)23/h4-13H,1-3H3 |
InChIKey |
QOTIQUBOHGTMSV-UHFFFAOYSA-N |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/adsc.202200613 |
Molecular Weight |
442.358 g/mol |
Reported Formula |
C22H20IS |
SMILES |
c12c3c(ccc2C(C(=C1Sc1ccc(cc1)C)I)(C)C)cccc3 |
SPLASH |
splash10-00kf-9048300000-8960c1f41cbfeed6b8ed |
Source of Spectrum |
ASC-364-SM27-2x |
Thin-Layer Chromatography |
Rf = 0.23 (Hexane/CH2Cl2, 100:1) |
Wiley ID |
1872952 |