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6-(1,3-Dithiolan-2-ylidene)octan-3-one
SpectraBase Compound ID 7X43kaHk4cY
InChI InChI=1S/C11H18OS2/c1-3-9(5-6-10(12)4-2)11-13-7-8-14-11/h3-8H2,1-2H3
InChIKey YDJFXLVHPNACDY-UHFFFAOYSA-N
Mol Weight 230.38 g/mol
Molecular Formula C11H18OS2
Exact Mass 230.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEqbEGYsHYE
Name 6-(1,3-Dithiolan-2-ylidene)octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18OS2
InChI InChI=1S/C11H18OS2/c1-3-9(5-6-10(12)4-2)11-13-7-8-14-11/h3-8H2,1-2H3
InChIKey YDJFXLVHPNACDY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 230.384 g/mol
Reported Formula C11H18OS2
SMILES C(C(=C1SCCS1)CCC(CC)=O)C
SPLASH splash10-0a59-0940000000-df3a28857705d49e57bf
Source of Spectrum BJO-14-SM17-4m
Thin-Layer Chromatography Rf = 0.58 (cyclohexane/ethyl acetate, 20:1)
Wiley ID 1845797