N-METHYLBUTYLAMINE(110-68-9) IR1
Product NameN-METHYLBUTYLAMINE
CAS110-68-9
Molecular FormulaC5H13N
Molecular Weight87.16
InChIInChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
InChIKey QCOGKXLOEWLIDC-UHFFFAOYSA-N
SmilesC(NC)CCC
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MassMS-NW-2184 N-methylbutylamine C5H13N (Mass of molecular ion: 87)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.6 18.0 1.7 27.0 2.9 28.0 3.3 29.0 2.7 30.0 4.5 39.0 1.5 41.0 2.6 42.0 3.8 43.0 2.1 44.0 100.0 45.0 2.7 56.0 1.3 57.0 1.5 58.0 3.7 87.0 6.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H13 N 0.04 ml : 0.5 ml CDCl3 N-methylbutylamine 
Assign. Shift(ppm)
A 2.56 B 2.429 C 1.69 to 1.10 D 1.38 E 0.92
Hz ppm Int.237.38 2.651 37 236.81 2.645 35 230.06 2.569 96 223.31 2.494 61 217.50 2.429 1000 133.06 1.486 37 132.06 1.475 54 131.44 1.468 51 129.00 1.441 71 127.94 1.429 80 125.75 1.405 65 123.50 1.379 329 121.50 1.357 74 119.38 1.333 37 118.44 1.323 33 115.56 1.291 30 89.75 1.003 50 88.75 0.991 76 86.63 0.968 40 84.94 0.949 33 82.44 0.921 177 79.88 0.892 47 79.38 0.887 48 75.00 0.838 35
in CDCl3
CCl4 solution
liquid film
