For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2-Iodo-1,1-dimethyl-1H-cyclopenta[l]phenanthren-3-yl) (p-tolyl) sulfide
SpectraBase Compound ID HlKBuBQUAhv
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
Mol Weight 442.36 g/mol
Molecular Formula C22H19IS
Exact Mass 442.025217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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