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5-(4-chlorophenyl)-5-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b][1,4]dithiine
SpectraBase Compound ID 2zEDAh9tTfu
InChI InChI=1S/C14H15ClS2/c1-14(10-2-4-11(15)5-3-10)7-6-12-13(14)17-9-8-16-12/h2-5H,6-9H2,1H3
InChIKey YQKVBJVASGFBHM-UHFFFAOYSA-N
Mol Weight 282.85 g/mol
Molecular Formula C14H15ClS2
Exact Mass 282.030371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRBAxzAHqkJ
Name 5-(4-chlorophenyl)-5-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b][1,4]dithiine
Appearance White crystalline solid
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Formula C14H15ClS2
InChI InChI=1S/C14H15ClS2/c1-14(10-2-4-11(15)5-3-10)7-6-12-13(14)17-9-8-16-12/h2-5H,6-9H2,1H3
InChIKey YQKVBJVASGFBHM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201606411
Molecular Weight 282.847 g/mol
SMILES C12=C(SCCS2)CCC1(C)C1=CC=C(C=C1)Cl
SPLASH splash10-014i-0090000000-2aac953f4d02ac794336
Source of Spectrum ACI-55-SM12-14c (DOI: 10.1002/anie.201606411)
Thin-Layer Chromatography 0.7 (Ethyl acetate/petroleum ether, 20%)
Wiley ID 1908141