N-isobutyl-sec-butylamine(39190-88-0) IR1
Product NameN-isobutyl-sec-butylamine
CAS39190-88-0
Molecular FormulaC8H19N
Molecular Weight129.24316
InChIInChI=1S/C8H19N/c1-5-8(4)9-6-7(2)3/h7-9H,5-6H2,1-4H3
InChIKey DVFVBAPHBZWJFX-UHFFFAOYSA-N
SmilesC(C)(CC)NCC(C)C
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MassMS-NW-1360 n-isobutyl-sec-butylamine C8H19N (Mass of molecular ion: 129)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 18.0 1.6 27.0 6.7 28.0 7.7 29.0 18.5 30.0 100.0 31.0 1.4 39.0 5.2 41.0 18.5 42.0 4.4 43.0 2.3 44.0 53.1 45.0 1.4 55.0 6.6 56.0 5.9 57.0 24.5 58.0 19.6 70.0 1.8 72.0 5.8 84.0 2.1 86.0 65.6 87.0 3.9 100.0 67.2 101.0 4.8 114.0 7.5 128.0 1.3 129.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H19 N 0.04 ml : 0.5 ml CDCl3 N-isobutyl-sec-butylamine 
Assign. Shift(ppm)
A 2.52 B 2.40 C 1.71 D 1.36 E 1.023 F 0.911 G 0.90
Hz ppm Int.229.13 2.559 38 228.13 2.548 49 222.81 2.488 52 222.19 2.481 51 219.06 2.446 127 217.38 2.428 140 212.00 2.368 170 211.13 2.358 182 153.06 1.710 41 146.69 1.638 41 134.88 1.507 45 129.38 1.445 58 128.63 1.437 57 127.06 1.419 50 121.69 1.359 124 114.75 1.282 75 108.50 1.212 39 94.38 1.054 623 92.31 1.031 64 91.25 1.019 55 90.88 1.015 55 88.13 0.985 577 87.00 0.972 186 86.06 0.961 238 84.38 0.943 1000 78.00 0.871 816 72.63 0.811 65 71.50 0.799 105 70.00 0.782 68
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
