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1-dichlorophosphoryl-3-methyl-buta-1,2-diene(13337-33-2) 1H NMR
Product Name1-dichlorophosphoryl-3-methyl-buta-1,2-diene
CAS13337-33-2
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
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