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5-(1,3-Dithiolan-2-ylidene)-5-phenylpentan-2-one
SpectraBase Compound ID 82zwDkiHr14
InChI InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey LXKWSUYFYQCLRX-UHFFFAOYSA-N
Mol Weight 264.4 g/mol
Molecular Formula C14H16OS2
Exact Mass 264.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjjISgH24on
Name 5-(1,3-Dithiolan-2-ylidene)-5-phenylpentan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS2
InChI InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey LXKWSUYFYQCLRX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 264.401 g/mol
Reported Formula C14H16OS2
SMILES c1cc(ccc1)C(=C1SCCS1)CCC(C)=O
SPLASH splash10-0ce9-2390000000-4c100a7b957c4329dba0
Source of Spectrum BJO-14-SM5-4a
Thin-Layer Chromatography Rf = 0.44 (cyclohexane/ethyl acetate, 4:1)
Wiley ID 1845785