2-METHYLBUTYLAMINE(96-15-1) MS
Product Name2-METHYLBUTYLAMINE
CAS96-15-1
Molecular FormulaC5H13N
Molecular Weight87.16
InChIInChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
InChIKey VJROPLWGFCORRM-UHFFFAOYSA-N
SmilesC(N)C(C)CC
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MassMS-NW-3318 2-methylbutylamine C5H13N (Mass of molecular ion: 87)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.5 27.0 2.7 28.0 3.2 29.0 3.4 30.0 100.0 31.0 2.3 32.0 1.7 39.0 2.1 41.0 5.0 42.0 1.4 43.0 1.2 44.0 1.8 55.0 2.0 56.0 1.6 58.0 1.7 70.0 1.3 87.0 3.8
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C5 H13 N 0.04 ml : 0.5 ml CDCl3 2-methylbutylamine 
Assign. Shift(ppm)
A *1 2.59 B *1 2.51 C 2.00 to 1.09 D 1.18 E 0.92 F 0.90
Hz ppm Int.245.88 2.746 36 240.81 2.689 60 233.44 2.607 207 228.19 2.548 316 222.88 2.489 190 216.25 2.415 38 210.44 2.350 41 210.31 2.349 41 135.88 1.518 61 133.25 1.488 47 132.25 1.477 43 129.19 1.443 106 128.81 1.439 106 127.38 1.423 96 126.19 1.409 91 122.63 1.370 144 119.69 1.337 161 115.31 1.288 176 112.50 1.257 105 110.88 1.239 93 105.19 1.175 701 100.69 1.125 104 98.94 1.105 112 96.56 1.079 69 93.69 1.047 148 92.31 1.031 62 89.19 0.996 141 86.38 0.965 337 85.25 0.952 375 82.75 0.924 1000 80.69 0.901 485 79.44 0.888 365 76.81 0.858 736 74.19 0.829 188 72.81 0.813 156 69.56 0.777 80
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1H NMR 399.65 MHz C5 H13 N 0.05 ml : 0.5 ml CDCl3 2-methylbutylamine Assign. Shift(ppm)
A *1 2.614 B *1 2.480 C *2 1.41 D *2 1.35 E 1.19 F 1.14 G 0.896 J 0.891 J(A,B)=12.6HZ. J(A,F)=5.6HZ. J(B,F)=6.7HZ.
Hz ppm Int.1054.57 2.639 126 1048.95 2.625 138 1041.99 2.608 177 1036.38 2.594 188 999.27 2.501 172 992.55 2.484 198 986.69 2.469 107 979.98 2.453 123 579.83 1.451 30 577.64 1.446 53 572.27 1.432 84 570.19 1.427 57 566.77 1.419 46 564.82 1.414 106 562.87 1.409 39 559.33 1.400 101 557.37 1.395 73 553.10 1.384 116 547.73 1.371 105 546.26 1.367 105 540.89 1.354 93 539.55 1.351 69 537.84 1.346 31 535.16 1.340 51 534.18 1.337 56 532.96 1.334 35 531.37 1.330 52 474.00 1.187 339 465.45 1.165 82 457.76 1.146 87 452.27 1.132 81 444.82 1.114 90 376.59 0.943 35 374.39 0.937 42 369.87 0.926 81 365.23 0.914 465 358.76 0.898 1000 358.03 0.896 861 352.05 0.881 735 350.46 0.877 415
in CDCl3
liquid film
