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2-(5'-Methoxycarbonyl-4'-pentenyl)-2-(4"-hexenyl)-1,3-dithiane
SpectraBase Compound ID DhTS3n3FMd7
InChI InChI=1S/C17H28O2S2/c1-3-4-5-8-12-17(20-14-10-15-21-17)13-9-6-7-11-16(18)19-2/h3-4,7,11H,5-6,8-10,12-15H2,1-2H3/b4-3+,11-7+
InChIKey KARJKOQAZOSTHQ-KDYKCUIDSA-N
Mol Weight 328.53 g/mol
Molecular Formula C17H28O2S2
Exact Mass 328.153072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cg1Qnt6CsK
Name 2-(5'-Methoxycarbonyl-4'-pentenyl)-2-(4"-hexenyl)-1,3-dithiane
Alternate Name(s) 2-(5'-Methoxycarbonyl-4'-pentenyl)-2-(4''-hexenyl)-1,3-dithiane Methyl (2E)-6-{2-[(4E)-4-hexenyl]-1,3-dithian-2-yl}-2-hexenoate (E)-6-[2-[(E)-hex-4-enyl]-1,3-dithian-2-yl]-2-hexenoic acid methyl ester Methyl (E)-6-[2-[(E)-hex-4-enyl]-1,3-dithian-2-yl]hex-2-enoate
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Formula C17H28O2S2
InChI InChI=1S/C17H28O2S2/c1-3-4-5-8-12-17(20-14-10-15-21-17)13-9-6-7-11-16(18)19-2/h3-4,7,11H,5-6,8-10,12-15H2,1-2H3/b4-3+,11-7+
InChIKey KARJKOQAZOSTHQ-KDYKCUIDSA-N
Molecular Weight 328.529 g/mol
SMILES C1(SCCCS1)(CCC\C=C\C(=O)OC)CCC\C=C\C
SPLASH splash10-0zfs-5693000000-810c93cdc98ef0e9da8b
Source of Spectrum F-48-10411-6
Wiley ID 1326134