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(E)-4-Acetoxy-4-(1,3-dithian-2-yl)-5-hepten-2-yne
SpectraBase Compound ID 3KfGis1rgNe
InChI InChI=1S/C13H18O2S2/c1-4-7-13(8-5-2,15-11(3)14)12-16-9-6-10-17-12/h4,7,12H,6,9-10H2,1-3H3/b7-4+
InChIKey AMEIWSFMNONHTO-QPJJXVBHSA-N
Mol Weight 270.4 g/mol
Molecular Formula C13H18O2S2
Exact Mass 270.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HccIeqGBXfe
Name (E)-4-Acetoxy-4-(1,3-dithian-2-yl)-5-hepten-2-yne
Alternate Name(s) (2E)-1-(1,3-dithian-2-yl)-1-(1-propynyl)-2-butenyl acetate Acetic acid[(E)-1-(1,3-dithian-2-yl)-1-prop-1-ynyl-but-2-enyl]ester Acetic acid[(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl]ester [(E)-1-(1,3-dithian-2-yl)-1-prop-1-ynyl-but-2-enyl]acetate [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl]acetate [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl]ethanoate Acetic acid [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] ester [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] acetate [(E)-1-(1,3-dithian-2-yl)-1-prop-1-ynyl-but-2-enyl] acetate [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] ethanoate
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Formula C13H18O2S2
InChI InChI=1S/C13H18O2S2/c1-4-7-13(8-5-2,15-11(3)14)12-16-9-6-10-17-12/h4,7,12H,6,9-10H2,1-3H3/b7-4+
InChIKey AMEIWSFMNONHTO-QPJJXVBHSA-N
Molecular Weight 270.405 g/mol
SMILES C(C#CC)(C1SCCCS1)(OC(=O)C)\C=C\C
SPLASH splash10-014i-0950000000-13a8bab868d1950f9d0f
Source of Spectrum J-63-5286-7
Wiley ID 1273831