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2-chloro-5-[1-[(4-iodophenyl)methyl]cyclohexyl]thiophene
SpectraBase Compound ID 7Cu4p0OzWXe
InChI InChI=1S/C17H18ClIS/c18-16-9-8-15(20-16)17(10-2-1-3-11-17)12-13-4-6-14(19)7-5-13/h4-9H,1-3,10-12H2
InChIKey DIQVRODELNJRAJ-UHFFFAOYSA-N
Mol Weight 416.75 g/mol
Molecular Formula C17H18ClIS
Exact Mass 415.986244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxdQCdb81rR
Name 2-chloro-5-[1-[(4-iodophenyl)methyl]cyclohexyl]thiophene
Appearance Yellow oil
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Formula C17H18ClIS
InChI InChI=1S/C17H18ClIS/c18-16-9-8-15(20-16)17(10-2-1-3-11-17)12-13-4-6-14(19)7-5-13/h4-9H,1-3,10-12H2
InChIKey DIQVRODELNJRAJ-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 416.748 g/mol
SMILES C1CCCC(C1)(Cc1ccc(cc1)I)c1sc(cc1)Cl
SPLASH splash10-05ai-3529000000-54220fdfd35d68e7dee4
Sample Comments Minor
Source of Spectrum ACI-60-SM35-4q'
Wiley ID 1880283