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3-((1,3-Dithian-2-ylidene)(phenyl)methyl)cyclohexan-1-one
SpectraBase Compound ID LkLegTO57zM
InChI InChI=1S/C17H20OS2/c18-15-9-4-8-14(12-15)16(13-6-2-1-3-7-13)17-19-10-5-11-20-17/h1-3,6-7,14H,4-5,8-12H2
InChIKey DBMRDQGRCWFNNO-UHFFFAOYSA-N
Mol Weight 304.47 g/mol
Molecular Formula C17H20OS2
Exact Mass 304.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b1MHWTFh7D
Name 3-((1,3-Dithian-2-ylidene)(phenyl)methyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS2
InChI InChI=1S/C17H20OS2/c18-15-9-4-8-14(12-15)16(13-6-2-1-3-7-13)17-19-10-5-11-20-17/h1-3,6-7,14H,4-5,8-12H2
InChIKey DBMRDQGRCWFNNO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 304.466 g/mol
Reported Formula C17H20OS2
SMILES c1(C(=C2SCCCS2)C2CC(CCC2)=O)ccccc1
SPLASH splash10-0udi-0139000000-262ba9d8a50e40f57bec
Source of Spectrum BJO-14-SM22-10b
Thin-Layer Chromatography Rf = 0.65 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845775