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(3S,5S) 6-(Bu-2-enyl)-5-([1,3]-dithian-2-yl)-3-[2-(1,3-dioxolan-2-yl)ethyl]-1-(ethylenedioxy)cyclohexane
SpectraBase Compound ID DqRYdsm6Xf9
InChI InChI=1S/C21H34O4S2/c1-2-3-5-18-17(20-26-12-4-13-27-20)14-16(6-7-19-22-8-9-23-19)15-21(18)24-10-11-25-21/h2-3,16-20H,4-15H2,1H3/b3-2+/t16-,17-,18?/m0/s1
InChIKey JIYWWALILIIQAF-BKKQZVDNSA-N
Mol Weight 414.6 g/mol
Molecular Formula C21H34O4S2
Exact Mass 414.189852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kkiW9aAxU
Name (3S,5S) 6-(Bu-2-enyl)-5-([1,3]-dithian-2-yl)-3-[2-(1,3-dioxolan-2-yl)ethyl]-1-(ethylenedioxy)cyclohexane
Alternate Name(s) (7S,9S)-10-[(E)-but-2-enyl]-7-[2-(1,3-dioxolan-2-yl)ethyl]-9-(1,3-dithian-2-yl)-1,4-dioxaspiro[4.5]decane (7S,9S)-6-((E)-But-2-enyl)-9-(2-[1,3]dioxolan-2-yl-ethyl)-7-[1,3]dithian-2-yl-1,4-dioxa-spiro[4.5]decane (7S,9S)-6-[(2E)-2-butenyl]-9-[2-(1,3-dioxolan-2-yl)ethyl]-7-(1,3-dithian-2-yl)-1,4-dioxaspiro[4.5]decane 6-(Bu-2-enyl)-5-([1,3]-dithian-2-yl)-3-[2-(1,3-dioxolan-2-yl)ethyl]-1-(ethylenedioxy)cyclohexane
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Formula C21H34O4S2
InChI InChI=1S/C21H34O4S2/c1-2-3-5-18-17(20-26-12-4-13-27-20)14-16(6-7-19-22-8-9-23-19)15-21(18)24-10-11-25-21/h2-3,16-20H,4-15H2,1H3/b3-2+/t16-,17-,18?/m0/s1
InChIKey JIYWWALILIIQAF-BKKQZVDNSA-N
Molecular Weight 414.619 g/mol
SMILES C12(C([C@@](C3SCCCS3)(C[C@@](C1)(CCC1OCCO1)[H])[H])C\C=C\C)OCCO2
SPLASH splash10-00xs-9610000000-55984eec2ff923c6d87d
Source of Spectrum QE-4-64-21
Wiley ID 843412