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Molecular FormulaC12H22O2S

Molecular Weight230.36688

InChIInChI=1S/C12H22O2S/c1-9(2)13-7-11(5)15-12(6)8-14-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey PNSCDYMMLSAQEF-UHFFFAOYSA-N

SmilesS(C(COC(C)C)=C)C(COC(C)C)=C

parameter in CDCl3


  • 1H NMR 300 MHz
    C6 H12 O S 10 wt% in CCl4
    isopropyl (vinylthio)methyl ether
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.20 D(B) 5.30 D(C) 6.37 J(A,B) -0.25 J(A,C) 9.99 J(B,C) 16.95 D(D) 4.75 D(E) 1.13 D(F) 3.91 J(E,F) 6.1 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.11.6

         Hz     ppm     Int.
    

       1924.75   6.416     76
       1914.77   6.383     81
       1907.88   6.360     85
       1897.89   6.326     90
       1598.30   5.328    163
       1581.33   5.271    142
       1564.95   5.216    154
       1554.96   5.183    146
       1424.99   4.750    660
       1185.31   3.951     30
       1179.16   3.931     75
       1173.11   3.910    102
       1166.96   3.890     77
       1160.91   3.870     32
        342.07   1.140   1000
        335.97   1.120    986
    

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