BUTYRONITRILE(109-74-0) IR1
Product NameBUTYRONITRILE
CAS109-74-0
Molecular FormulaC4H7N
Molecular Weight69.11
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
InChIKey KVNRLNFWIYMESJ-UHFFFAOYSA-N
SmilesC(#N)CCC
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MassMS-NW-0927 butyronitrile C4H7N (Mass of molecular ion: 69)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 26.0 5.3 27.0 28.6 28.0 5.9 29.0 66.3 30.0 1.5 37.0 2.8 38.0 3.2 39.0 8.6 40.0 3.8 41.0 100.0 42.0 4.0 51.0 1.4 52.0 2.7 54.0 1.2 64.0 1.2
400 MHz in CDCl3
parameter in benzene
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1H NMR 399.65 MHz C4 H7 N 0.05 ml : 0.5 ml CDCl3 butyronitrile 
Assign. Shift(ppm)
A 2.339 B 1.699 C 1.081
Hz ppm Int.946.41 2.369 23 942.02 2.358 447 939.45 2.351 50 934.94 2.340 762 930.05 2.328 47 927.86 2.322 461 697.39 1.746 67 690.19 1.727 235 682.98 1.709 425 675.66 1.691 417 668.46 1.673 249 661.13 1.655 69 439.21 1.099 644 431.88 1.081 1000 424.44 1.063 556
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1H NMR 300 MHz C4 H7 N 90 vol% in benzene butyronitrile Parameter ppm Hz
D(A) 2.073 D(B) 1.398 D(C) 0.810 J(A,B) 7.03 J(A,C) -0.05 J(B,C) 7.39 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
Hz ppm Int.629.05 2.097 330 622.04 2.073 705 615.01 2.050 383 437.60 1.459 45 430.21 1.434 170 423.08 1.410 337 415.82 1.386 338 408.64 1.362 190 401.44 1.338 49 250.22 0.834 519 242.85 0.809 1000 235.48 0.785 429
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
UV PHOTOLYSIS IN H2O2 AND H2O, 34.5C
