STEARONITRILE(638-65-3) 1H NMR
Product NameSTEARONITRILE
CAS638-65-3
Molecular FormulaC18H35N
Molecular Weight265.48
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKey RHSBIGNQEIPSCT-UHFFFAOYSA-N
SmilesC(#N)CCCCCCCCCCCCCCCCC
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MassMS-IW-0901 stearonitrile C18H35N (Mass of molecular ion: 265)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.5 27.0 2.8 28.0 1.4 29.0 9.1 30.0 2.1 39.0 2.7 41.0 25.5 42.0 7.0 43.0 41.2 44.0 3.8 53.0 1.7 54.0 7.6 55.0 25.2 56.0 14.9 57.0 100.0 58.0 7.6 67.0 6.1 68.0 4.0 69.0 19.5 70.0 48.7 71.0 45.6 72.0 3.8 79.0 4.7 80.0 2.3 81.0 6.6 82.0 24.2 83.0 30.6 84.0 24.3 85.0 35.4 86.0 3.2 93.0 5.4 94.0 3.1 95.0 5.2 96.0 54.4 97.0 91.6 98.0 23.2 99.0 22.8 100.0 2.4 107.0 3.7 108.0 2.4 109.0 2.8 110.0 72.6 111.0 45.2 112.0 17.8 113.0 17.1 114.0 2.1 121.0 3.0 122.0 4.1 123.0 1.9 124.0 50.9 125.0 25.7 126.0 18.0 127.0 12.4 128.0 1.9 135.0 2.4 136.0 3.3 137.0 1.1 138.0 28.9 139.0 12.4 140.0 11.3 141.0 7.5 142.0 1.3 149.0 1.4 150.0 1.6 152.0 22.4 153.0 7.7 154.0 8.8 155.0 3.4 164.0 1.6 166.0 20.3 167.0 7.2 168.0 7.0 169.0 2.1 178.0 1.5 180.0 21.4 181.0 9.9 182.0 6.7 183.0 1.4 192.0 1.7 194.0 26.3 195.0 14.2 196.0 5.1 206.0 1.1 208.0 31.1 209.0 17.4 210.0 5.6 222.0 35.8 223.0 15.9 224.0 6.2 236.0 26.0 237.0 8.2 238.0 1.2 250.0 4.8 251.0 1.4 264.0 1.7 265.0 12.9 266.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H35 N 0.033 g : 0.5 ml CDCl3 stearonitrile 
Assign. Shift(ppm)
A 2.333 B 1.652 C 1.444 D 1.29 E 1.26 F 0.880
Hz ppm Int.939.58 2.352 83 932.50 2.334 175 925.29 2.316 90 668.82 1.674 40 661.38 1.655 51 653.93 1.637 48 646.61 1.618 24 583.86 1.461 22 576.42 1.443 29 568.97 1.424 24 524.66 1.313 49 514.65 1.288 124 502.81 1.259 1000 492.07 1.232 48 358.76 0.898 60 352.05 0.881 190 345.09 0.864 73
in CDCl3
KBr disc
nujol mull
