Decanonitrile(1975-78-6) IR1
Product NameDecanonitrile
CAS1975-78-6
Molecular FormulaC10H19N
Molecular Weight153.26
InChIInChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
InChIKey HBZDPWBWBJMYRY-UHFFFAOYSA-N
SmilesC(#N)CCCCCCCCC
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MassMS-IW-8200 decanenitrile C10H19N (Mass of molecular ion: 153)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.6 26.0 1.4 27.0 26.9 28.0 7.8 29.0 40.0 30.0 5.0 39.0 23.7 40.0 4.6 41.0 99.8 42.0 21.6 43.0 82.6 44.0 5.5 51.0 1.7 52.0 1.9 53.0 8.2 54.0 70.2 55.0 67.2 56.0 25.8 57.0 59.4 58.0 3.8 65.0 1.5 66.0 1.5 67.0 9.7 68.0 15.5 69.0 78.4 70.0 20.7 71.0 16.3 72.0 1.6 77.0 1.5 79.0 8.9 80.0 3.2 81.0 9.0 82.0 100.0 83.0 79.4 84.0 13.3 85.0 3.2 91.0 2.5 93.0 6.2 94.0 3.5 95.0 3.9 96.0 97.9 97.0 87.2 98.0 9.4 107.0 3.9 108.0 1.7 109.0 1.3 110.0 89.8 111.0 26.1 112.0 2.5 122.0 1.1 124.0 42.0 125.0 6.3 138.0 7.0 152.0 4.2 154.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H19 N 0.05 ml : 0.5 ml CDCl3 decanenitrile 
Assign. Shift(ppm)
A 2.334 B 1.650 C 1.442 D 1.29 E 0.883
Hz ppm Int.940.43 2.354 455 933.23 2.336 950 926.15 2.318 516 675.17 1.690 87 667.85 1.672 231 660.40 1.653 296 652.95 1.634 271 645.75 1.616 126 591.80 1.481 42 584.47 1.463 120 577.27 1.445 167 572.63 1.433 111 569.70 1.426 139 562.50 1.408 66 533.33 1.335 133 528.81 1.324 200 516.60 1.293 708 514.65 1.288 661 509.64 1.276 724 360.11 0.902 303 353.27 0.884 1000 346.31 0.867 405
in CDCl3
liquid film
