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3-((1,3-Dithiolan-2-ylidene)(phenyl)methyl)cyclopentan-1-one
SpectraBase Compound ID IHDX9kcZL2U
InChI InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey LOEMJXFENGAIRJ-UHFFFAOYSA-N
Mol Weight 276.41 g/mol
Molecular Formula C15H16OS2
Exact Mass 276.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FR59nYrBaS
Name 3-((1,3-Dithiolan-2-ylidene)(phenyl)methyl)cyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16OS2
InChI InChI=1S/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey LOEMJXFENGAIRJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 276.412 g/mol
Reported Formula C15H16OS2
SMILES c1(C(=C2SCCS2)C2CC(CC2)=O)ccccc1
SPLASH splash10-002f-0930000000-2bf2b5656fa17e952f44
Source of Spectrum BJO-14-SM20-9a
Thin-Layer Chromatography Rf = 0.36 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845816