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Methyl 4-(1,3-dithiolan-2-ylidene)hexanoate
SpectraBase Compound ID 63vhGimM7rF
InChI InChI=1S/C10H16O2S2/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h3-7H2,1-2H3
InChIKey WEWHOQGGMKXBGI-UHFFFAOYSA-N
Mol Weight 232.36 g/mol
Molecular Formula C10H16O2S2
Exact Mass 232.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TQTM7fiyW
Name Methyl 4-(1,3-dithiolan-2-ylidene)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S2
InChI InChI=1S/C10H16O2S2/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h3-7H2,1-2H3
InChIKey WEWHOQGGMKXBGI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 232.356 g/mol
Reported Formula C10H16O2S2,
SMILES C1(SCCS1)=C(CCC(=O)OC)CC
SPLASH splash10-0a4i-0920000000-1637f4a14894f395e550
Source of Spectrum BJO-14-SM30-13a
Thin-Layer Chromatography Rf = 0.60 (cyclohexane/ethyl acetate, 4:1)
Wiley ID 1845781