trans-1,4-Dichloro-2-butene(110-57-6) 1H NMR
Product Nametrans-1,4-Dichloro-2-butene
CAS110-57-6
Molecular FormulaC4H6Cl2
Molecular Weight125
InChIInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKey FQDIANVAWVHZIR-OWOJBTEDSA-N
SmilesC(Cl)/C=C/CCl
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MassMS-NW-5076 trans-1,4-dichloro-2-butene C4H6Cl2 (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 7.2 27.0 27.7 28.0 2.0 35.0 1.7 36.0 4.7 37.0 1.7 38.0 2.8 39.0 22.1 40.0 1.0 41.0 3.7 49.0 7.3 50.0 7.4 51.0 12.7 52.0 3.9 53.0 53.4 54.0 16.1 61.0 3.1 62.0 24.6 63.0 3.2 64.0 7.8 73.0 1.6 75.0 100.0 76.0 3.5 77.0 33.2 78.0 1.2 87.0 2.5 88.0 22.0 89.0 47.2 90.0 9.3 91.0 15.2 124.0 17.0 125.0 1.1 126.0 11.1 128.0 1.8
parameter neat
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1H NMR 300 MHz C4 H6 Cl2 neat trans-1,4-dichloro-2-butene 
Parameter ppm Hz
D(A) 5.881 D(B) 3.998 J(A,A') 15.09 J(A,B) 6.81 J(A,B') -1.35 J(A',B) -1.35 J(A',B') 6.81 J(B,B') 0.86 HARRIS,R.K. & HOWES,B.R. J.MOL.SPECTROSC. 28, 191 (1968)
Hz ppm Int.1783.23 5.944 15 1769.80 5.899 125 1768.09 5.894 245 1766.00 5.887 261 1764.35 5.881 353 1762.67 5.876 252 1760.62 5.869 256 1758.91 5.863 129 1746.60 5.822 10 1745.46 5.818 17 1215.57 4.052 21 1214.47 4.048 12 1213.93 4.046 13 1202.11 4.007 1000 1200.45 4.001 592 1198.33 3.994 572 1196.67 3.989 982 1184.81 3.949 12 1184.29 3.948 12 1183.21 3.944 19
in CDCl3
liquid film
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Spectral Code: Raman : 4880 A,100M,powder
