1-dichlorophosphoryl-3-methyl-buta-1,2-diene(13337-33-2) ¹H NMR

Product Name1-dichlorophosphoryl-3-methyl-buta-1,2-diene

CAS 13337-33-2

Molecular FormulaC5H7Cl2OP

Molecular Weight184.99

InChIInChI=1S/C5H7Cl2OP/c1-5(2)3-4-9(6,7)8/h4H,1-2H3

InChIKey WBWKMWRLRXOVAW-UHFFFAOYSA-N

SmilesC(P(Cl)(Cl)=O)=C=C(C)C

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¹HNMR

parameter neat

¹H NMR	300 MHz
C₅ H₇ Cl₂ O P	in CDCl₃
(3-methyl-1,2-butadienyl)phosphonic dichloride

    Parameter     ppm  Hz

      D(A)         2.184
      D(B)         6.27
       J(A,B)          3.1
       J(A,X)         12.1
       J(B,X)         27.8
     
     SIMONNIN,M.-P. & CHARRIER,C. ORG.MAGN.RESON. 1, 27 (1969)
     THE RELATIVE SIGNS OF J(A,X) AND J(B,X) MAY BE REVERSED.

     Hz     ppm     Int.

   1901.14   6.337     32
   1898.05   6.327     79
   1894.92   6.316    105
   1891.83   6.306     79
   1888.74   6.296     33
   1873.32   6.244     32
   1870.23   6.234     79
   1867.14   6.224    105
   1864.05   6.213     79
   1860.96   6.203     33
    662.80   2.209    999
    659.71   2.199    995
    650.71   2.169   1000
    647.62   2.159    994

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1-dichlorophosphoryl-3-methyl-buta-1,2-diene(13337-33-2) 1H NMR

1-dichlorophosphoryl-3-methyl-buta-1,2-diene(13337-33-2) ¹H NMR