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(E)-6-(2-pent-4-enyl-1,3-dithian-2-yl)-2-hexenoic acid methyl ester
SpectraBase Compound ID 90hS0USJhYs
InChI InChI=1S/C16H26O2S2/c1-3-4-7-11-16(19-13-9-14-20-16)12-8-5-6-10-15(17)18-2/h3,6,10H,1,4-5,7-9,11-14H2,2H3/b10-6+
InChIKey LFNWHGYUMIHJIG-UXBLZVDNSA-N
Mol Weight 314.5 g/mol
Molecular Formula C16H26O2S2
Exact Mass 314.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoLzbqL3Auv
Name (E)-6-(2-pent-4-enyl-1,3-dithian-2-yl)-2-hexenoic acid methyl ester
Alternate Name(s) (E)-6-(2-pent-4-enyl-1,3-dithian-2-yl)hex-2-enoic acid methyl ester Methyl (E)-6-(2-pent-4-enyl-1,3-dithian-2-yl)hex-2-enoate
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Formula C16H26O2S2
InChI InChI=1S/C16H26O2S2/c1-3-4-7-11-16(19-13-9-14-20-16)12-8-5-6-10-15(17)18-2/h3,6,10H,1,4-5,7-9,11-14H2,2H3/b10-6+
InChIKey LFNWHGYUMIHJIG-UXBLZVDNSA-N
Molecular Weight 314.502 g/mol
SMILES C1(SCCCS1)(CCCC=C)CCC\C=C\C(=O)OC
SPLASH splash10-0a4i-0901000000-31286d66f0fdbeaef37a
Source of Spectrum F-48-10411-6
Wiley ID 1314894