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5-(1,3-Dithian-2-ylidene)-4,5-diphenylpentan-2-one
SpectraBase Compound ID EIYiLjn3FiB
InChI InChI=1S/C21H22OS2/c1-16(22)15-19(17-9-4-2-5-10-17)20(18-11-6-3-7-12-18)21-23-13-8-14-24-21/h2-7,9-12,19H,8,13-15H2,1H3
InChIKey KDMUVXXDJMVQGI-UHFFFAOYSA-N
Mol Weight 354.53 g/mol
Molecular Formula C21H22OS2
Exact Mass 354.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d4uo1dMh1F
Name 5-(1,3-Dithian-2-ylidene)-4,5-diphenylpentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS2
InChI InChI=1S/C21H22OS2/c1-16(22)15-19(17-9-4-2-5-10-17)20(18-11-6-3-7-12-18)21-23-13-8-14-24-21/h2-7,9-12,19H,8,13-15H2,1H3
InChIKey KDMUVXXDJMVQGI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 354.526 g/mol
Reported Formula C21H22OS2
SMILES c1cc(ccc1)C(=C1SCCCS1)C(CC(C)=O)c1ccccc1
SPLASH splash10-05gi-6932000000-2e1520ec4a04618909e4
Source of Spectrum BJO-14-SM12-5g
Thin-Layer Chromatography Rf = 0.66 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845809