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(2-Iodo-1,1-dimethyl-1H-inden-3-yl) (3-methoxyphenyl) sulfide
SpectraBase Compound ID 2PvmUBXcQ7f
InChI InChI=1S/C18H17IOS/c1-18(2)15-10-5-4-9-14(15)16(17(18)19)21-13-8-6-7-12(11-13)20-3/h4-11H,1-3H3
InChIKey MTUWMVPGGJMICW-UHFFFAOYSA-N
Mol Weight 408.3 g/mol
Molecular Formula C18H17IOS
Exact Mass 408.004481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Lzsn2wu5Rd
Name (2-Iodo-1,1-dimethyl-1H-inden-3-yl) (3-methoxyphenyl) sulfide
Appearance Pale yellow oil
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Formula C18H17IOS
InChI InChI=1S/C18H17IOS/c1-18(2)15-10-5-4-9-14(15)16(17(18)19)21-13-8-6-7-12(11-13)20-3/h4-11H,1-3H3
InChIKey MTUWMVPGGJMICW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 408.297 g/mol
Reported Formula C18H18IOS
SMILES c12ccccc2C(C(=C1Sc1cc(ccc1)OC)I)(C)C
SPLASH splash10-00lr-0490300000-6bc601e82438bf7afd26
Source of Spectrum ASC-364-SM19-2e
Thin-Layer Chromatography Rf = 0.26 (Hex/AcOEt, 40:1)
Wiley ID 1872940