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3-((1,3-Dithiolan-2-ylidene)methyl)cyclopentan-1-one
SpectraBase Compound ID JyMC2nrP5XH
InChI InChI=1S/C9H12OS2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9/h6-7H,1-5H2
InChIKey OQIFLRJENUJSFT-UHFFFAOYSA-N
Mol Weight 200.31 g/mol
Molecular Formula C9H12OS2
Exact Mass 200.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Z12q9t6I3r
Name 3-((1,3-Dithiolan-2-ylidene)methyl)cyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS2
InChI InChI=1S/C9H12OS2/c10-8-2-1-7(5-8)6-9-11-3-4-12-9/h6-7H,1-5H2
InChIKey OQIFLRJENUJSFT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 200.314 g/mol
Reported Formula C9H12OS2
SMILES C1SC(SC1)=CC1CCC(C1)=O
SPLASH splash10-0f89-9640000000-dc63ad630fc9818d7bad
Source of Spectrum BJO-14-SM28-4u
Thin-Layer Chromatography Rf = 0.61 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845802