1,3-Diaminopentane(589-37-7) MS
Product Name1,3-Diaminopentane
CAS589-37-7
Molecular FormulaC5H14N2
Molecular Weight102.18
InChIInChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3
InChIKey WTSXICLFTPPDTL-UHFFFAOYSA-N
SmilesC(N)CC(N)CC
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MassMS-IW-5083 1,3-pentanediamine C5H14N2 (Mass of molecular ion: 102)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.7 17.0 1.9 18.0 19.0 26.0 1.0 27.0 5.8 28.0 23.0 29.0 5.7 30.0 80.9 31.0 2.3 32.0 1.4 39.0 3.6 40.0 1.9 41.0 33.7 42.0 15.6 43.0 11.5 44.0 93.9 45.0 10.7 52.0 1.0 53.0 1.5 54.0 4.3 55.0 5.9 56.0 87.8 57.0 9.7 58.0 100.0 59.0 6.3 67.0 1.6 68.0 1.6 69.0 2.2 70.0 10.3 71.0 2.6 72.0 8.2 73.0 20.4 82.0 1.7 84.0 14.5 85.0 76.4 86.0 5.1 103.0 1.0 113.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H14 N2 0.05 ml : 0.5 ml CDCl3 1,3-pentanediamine 
Assign. Shift(ppm)
A 2.796 B 2.726 C *1 2.079 D *2 1.45 E *1 1.38 F *2 1.30 G 1.3 J 0.924 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.1125.37 2.816 169 1123.29 2.811 166 1119.14 2.801 198 1117.55 2.797 224 1116.09 2.793 271 1111.33 2.781 176 1108.89 2.775 150 1103.76 2.762 39 1102.05 2.758 45 1097.05 2.746 81 1093.87 2.738 69 1092.53 2.734 63 1089.36 2.726 109 1086.06 2.718 65 1084.84 2.715 70 1081.54 2.707 71 1076.66 2.695 42 647.46 1.621 53 642.94 1.609 57 640.38 1.603 67 639.77 1.601 59 635.99 1.592 73 635.25 1.590 70 633.91 1.587 87 632.69 1.584 62 629.52 1.576 85 628.17 1.572 74 626.83 1.569 99 622.31 1.558 95 619.14 1.550 71 614.62 1.538 67 597.17 1.495 31 594.73 1.489 68 589.60 1.476 80 588.75 1.474 60 587.16 1.470 79 583.62 1.461 57 581.91 1.457 105 581.18 1.455 111 579.71 1.451 49 575.93 1.442 107 573.61 1.436 112 568.48 1.423 166 566.16 1.417 60 561.16 1.405 136 560.06 1.402 97 554.81 1.389 145 553.59 1.386 103 552.86 1.384 101 548.46 1.373 87 547.49 1.370 101 546.51 1.368 138 541.14 1.355 97 540.16 1.352 95 539.18 1.350 97 537.60 1.346 80 532.84 1.334 113 530.15 1.327 174 522.71 1.308 250 516.48 1.293 195 515.38 1.290 218 509.16 1.275 189 508.18 1.272 127 501.83 1.256 131 494.63 1.238 60 489.99 1.227 30 376.59 0.943 572 369.14 0.924 1000 361.69 0.906 474 358.52 0.898 39
in CDCl3
liquid film
