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4-(1,3-Dithiolan-2-ylidene)-1,3,4-triphenylbutan-1-one
SpectraBase Compound ID FoDvC3KDs5j
InChI InChI=1S/C25H22OS2/c26-23(20-12-6-2-7-13-20)18-22(19-10-4-1-5-11-19)24(25-27-16-17-28-25)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKey GEPFNJDSCKCSTO-UHFFFAOYSA-N
Mol Weight 402.57 g/mol
Molecular Formula C25H22OS2
Exact Mass 402.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SjZ30BYq32
Name 4-(1,3-Dithiolan-2-ylidene)-1,3,4-triphenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22OS2
InChI InChI=1S/C25H22OS2/c26-23(20-12-6-2-7-13-20)18-22(19-10-4-1-5-11-19)24(25-27-16-17-28-25)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKey GEPFNJDSCKCSTO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 402.570 g/mol
Reported Formula C25H22OS2
SMILES c1cc(ccc1)C(=C1SCCS1)C(CC(c1ccccc1)=O)c1ccccc1
SPLASH splash10-0a7i-7992300000-8ae6c31d516b9da6b2b0
Source of Spectrum BJO-14-SM13-4h
Thin-Layer Chromatography Rf = 0.38 (cyclohexane/ethyl acetate, 4:1)
Wiley ID 1845792