N,N'-DI-N-BUTYL-1,6-HEXANEDIAMINE(4835-11-4) 1H NMR
Product NameN,N'-DI-N-BUTYL-1,6-HEXANEDIAMINE
CAS4835-11-4
Molecular FormulaC14H32N2
Molecular Weight228.42
InChIInChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey VZRUGPJUVWRHKM-UHFFFAOYSA-N
SmilesC(NCCCC)CCCCCNCCCC
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MassMS-NW-3935 N,N'-dibutyl-1,6-hexanediamine C14H32N2 (Mass of molecular ion: 228)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.4 27.0 3.6 28.0 4.6 29.0 12.8 30.0 32.0 39.0 2.5 41.0 15.8 42.0 5.8 43.0 5.7 44.0 25.7 45.0 1.0 53.0 1.0 55.0 10.7 56.0 7.6 57.0 8.6 58.0 2.8 68.0 1.3 69.0 1.7 70.0 5.7 71.0 9.4 72.0 8.6 73.0 5.9 74.0 2.7 81.0 3.9 82.0 1.4 83.0 1.2 84.0 5.2 86.0 100.0 87.0 6.2 96.0 1.0 98.0 15.6 99.0 2.4 100.0 22.8 101.0 2.0 110.0 3.8 112.0 42.9 113.0 3.8 114.0 8.6 126.0 2.4 128.0 2.4 140.0 1.3 142.0 15.1 143.0 6.3 154.0 19.9 155.0 3.2 156.0 10.6 157.0 2.8 171.0 5.1 185.0 16.3 186.0 2.3 228.0 1.9
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C14 H32 N2 0.04 ml : 0.5 ml CDCl3 N,N'-dibutyl-1,6-hexanediamine 
Assign. Shift(ppm)
A 2.59 B 1.66 C 1.49 D 1.47 E 1.35 F 1.33 G 0.915
Hz ppm Int.239.06 2.670 359 232.19 2.593 903 225.31 2.516 590 148.50 1.659 34 147.56 1.648 42 146.94 1.641 43 145.00 1.620 76 144.56 1.615 75 139.31 1.556 199 137.13 1.532 231 131.50 1.469 491 128.44 1.435 607 127.25 1.421 684 123.81 1.383 997 115.00 1.285 233 109.69 1.225 145 109.13 1.219 144 104.81 1.171 43 103.31 1.154 61 102.06 1.140 64 96.88 1.082 37 91.81 1.026 510 89.25 0.997 372 88.31 0.987 495 84.38 0.943 202 81.94 0.915 1000 79.19 0.885 263 77.94 0.871 226 75.88 0.848 158 74.50 0.832 191 72.63 0.811 102
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1H NMR 399.65 MHz C14 H32 N2 0.04 ml : 0.5 ml CDCl3 N,N'-dibutyl-1,6-hexanediamine Assign. Shift(ppm)
A 2.590 B *1 1.49 C *1 1.47 D 1.34 E 1.01 F 0.916
Hz ppm Int.1053.10 2.636 34 1042.36 2.609 446 1035.16 2.591 621 1027.83 2.572 484 601.81 1.506 169 601.20 1.505 167 595.09 1.490 293 591.92 1.482 197 587.77 1.471 276 586.55 1.468 294 579.35 1.450 219 577.27 1.445 131 572.27 1.432 110 553.96 1.387 81 546.88 1.369 208 538.94 1.349 327 533.57 1.336 360 531.37 1.330 353 526.25 1.317 159 524.29 1.312 183 517.33 1.295 60 373.17 0.934 575 365.72 0.916 1000 358.52 0.898 509
in CDCl3
liquid film
