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7-Iodo-8,8-dimethyl-6-(p-tolylthio)-8H-indeno[5,4-b]thiophene
SpectraBase Compound ID 5Oe504LJm55
InChI InChI=1S/C20H17IS2/c1-12-4-6-14(7-5-12)23-18-15-10-13-8-9-22-17(13)11-16(15)20(2,3)19(18)21/h4-11H,1-3H3
InChIKey RFLDCENOXOQURA-UHFFFAOYSA-N
Mol Weight 448.38 g/mol
Molecular Formula C20H17IS2
Exact Mass 447.981638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyY7kvhehVI
Name 7-Iodo-8,8-dimethyl-6-(p-tolylthio)-8H-indeno[5,4-b]thiophene
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17IS2
InChI InChI=1S/C20H17IS2/c1-12-4-6-14(7-5-12)23-18-15-10-13-8-9-22-17(13)11-16(15)20(2,3)19(18)21/h4-11H,1-3H3
InChIKey RFLDCENOXOQURA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 448.380 g/mol
Reported Formula C20H18IS2
SMILES c12cc3c(cc2C(C(=C1Sc1ccc(cc1)C)I)(C)C)scc3
SPLASH splash10-00dl-4049400000-07cc98b4195de465adf0
Source of Spectrum ASC-364-SM28-2z
Thin-Layer Chromatography Rf = 0.28 (hexane/CH2Cl2, 20:1)
Wiley ID 1872953