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2-chloro-5-(cyclohexyl(4-iodophenyl)methyl)thiophene
SpectraBase Compound ID FafbBeXZzUV
InChI InChI=1S/C17H18ClIS/c18-16-11-10-15(20-16)17(12-4-2-1-3-5-12)13-6-8-14(19)9-7-13/h6-12,17H,1-5H2
InChIKey UMBSXKYSBBRVQI-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 7Y8NnFcEVZE
Name 2-chloro-5-(cyclohexyl(4-iodophenyl)methyl)thiophene
Appearance Yellow oil
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Formula C17H18ClIS
InChI InChI=1S/C17H18ClIS/c18-16-11-10-15(20-16)17(12-4-2-1-3-5-12)13-6-8-14(19)9-7-13/h6-12,17H,1-5H2
InChIKey UMBSXKYSBBRVQI-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 c1(Cl)sc(cc1)C(c1ccc(cc1)I)C1CCCCC1
SPLASH splash10-05ai-3529000000-54220fdfd35d68e7dee4
Sample Comments Major
Source of Spectrum ACI-60-SM35-4q
Wiley ID 1880284