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3-((1,3-Dithian-2-ylidene)(phenyl)methyl)cyclopentan-1-one
SpectraBase Compound ID G78MA8Pizcf
InChI InChI=1S/C16H18OS2/c17-14-8-7-13(11-14)15(12-5-2-1-3-6-12)16-18-9-4-10-19-16/h1-3,5-6,13H,4,7-11H2
InChIKey RUNYTOSEZSUNGD-UHFFFAOYSA-N
Mol Weight 290.44 g/mol
Molecular Formula C16H18OS2
Exact Mass 290.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AsqU5EPcQE
Name 3-((1,3-Dithian-2-ylidene)(phenyl)methyl)cyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS2
InChI InChI=1S/C16H18OS2/c17-14-8-7-13(11-14)15(12-5-2-1-3-6-12)16-18-9-4-10-19-16/h1-3,5-6,13H,4,7-11H2
InChIKey RUNYTOSEZSUNGD-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 290.439 g/mol
Reported Formula C16H18OS2
SMILES c1(C(=C2SCCCS2)C2CC(CC2)=O)ccccc1
SPLASH splash10-00ko-0970000000-1b1655b48b24886b70e2
Source of Spectrum BJO-14-SM21-10a
Thin-Layer Chromatography Rf = 0.47 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845774