HEXANENITRILE(628-73-9) IR1
Product NameHEXANENITRILE
CAS628-73-9
Molecular FormulaC6H11N
Molecular Weight97.16
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
InChIKey AILKHAQXUAOOFU-UHFFFAOYSA-N
SmilesC(#N)CCCCC
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MassMS-NW-1009 hexanenitrile C6H11N (Mass of molecular ion: 97)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 2.4 26.0 4.5 27.0 33.3 28.0 9.0 29.0 43.0 30.0 1.6 37.0 1.4 38.0 2.9 39.0 21.9 40.0 4.9 41.0 100.0 42.0 13.7 43.0 27.6 50.0 1.3 51.0 2.0 52.0 2.7 53.0 3.6 54.0 81.7 55.0 41.8 56.0 4.4 57.0 32.2 58.0 1.4 66.0 1.1 67.0 1.1 68.0 30.4 69.0 23.0 70.0 3.8 71.0 1.4 82.0 24.5 83.0 1.3 96.0 12.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 N 0.04 ml : 0.5 ml CDCl3 hexanenitrile 
Assign. Shift(ppm)
A 2.33 B 1.67 C 1.72 to 1.13 D 0.94
Hz ppm Int.217.13 2.425 223 216.06 2.413 243 214.31 2.393 100 209.44 2.339 999 203.19 2.269 443 202.56 2.262 475 158.19 1.767 86 156.25 1.745 149 155.50 1.737 129 154.94 1.731 136 153.69 1.717 114 153.00 1.709 109 150.06 1.676 275 149.25 1.667 220 148.38 1.657 217 146.94 1.641 172 145.13 1.621 152 143.63 1.604 195 142.69 1.594 225 142.00 1.586 230 139.25 1.555 149 138.63 1.548 149 136.56 1.525 219 136.06 1.520 222 133.88 1.495 333 131.25 1.466 363 130.44 1.457 353 128.94 1.440 361 128.13 1.431 366 126.88 1.417 443 126.19 1.409 332 124.94 1.396 307 124.00 1.385 351 122.50 1.368 376 118.81 1.327 362 116.75 1.304 142 116.19 1.298 149 114.69 1.281 97 114.25 1.276 88 113.69 1.270 92 112.56 1.257 77 111.19 1.242 95 110.75 1.237 96 110.06 1.229 85 93.31 1.042 70 89.19 0.996 368 88.50 0.989 326 86.75 0.969 218 84.75 0.947 262 82.75 0.924 1000 79.63 0.890 221 76.75 0.857 161 75.38 0.842 135 73.50 0.821 80
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
