2-Chloroacrylonitrile(920-37-6) 13C NMR
Product Name2-Chloroacrylonitrile
CAS920-37-6
Molecular FormulaC3H2ClN
Molecular Weight87.51
InChIInChI=1S/C3H2ClN/c1-3(4)2-5/h1H2
InChIKey OYUNTGBISCIYPW-UHFFFAOYSA-N
SmilesC(#N)C(Cl)=C
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MassMS-NW-0829 2-chloroacrylonitrile C3H2ClN (Mass of molecular ion: 87)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
24.0 1.7 25.0 4.6 26.0 12.7 35.0 2.9 36.0 1.6 37.0 2.4 38.0 2.9 47.0 1.8 49.0 2.6 50.0 5.1 51.0 29.8 52.0 100.0 53.0 3.5 60.0 11.0 61.0 2.8 62.0 4.0 86.0 2.5 87.0 91.7 88.0 5.3 89.0 30.0 90.0 1.3
90 MHz in CDCl3
parameter in benzene
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1H NMR 89.56 MHz C3 H2 Cl N 0.04 ml : 0.5 ml CDCl3 2-chloroacrylonitrile 
Assign. Shift(ppm)
A *1 6.242 B *1 6.150 J(A,B)=2.5HZ.
Hz ppm Int.560.56 6.260 553 558.13 6.232 956 551.75 6.161 1000 549.25 6.133 606
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1H NMR 300 MHz C3 H2 Cl N in benzene 2-chloroacrylonitrile Parameter ppm Hz
D(A) 4.875 D(B) 4.925 J(A,B) 2.59 WATTS,V.S. & GOLDSTEIN,J.H. J.MOL.SPECTROSC. 21, 260 (1966)
Hz ppm Int.1478.90 4.930 719 1476.32 4.921 1000 1463.68 4.879 1000 1461.10 4.870 719
in CDCl3
CCl4 solution
liquid film
