ISOBUTYLAMINE HYDROCHLORIDE(5041-09-8) MS
Product NameISOBUTYLAMINE HYDROCHLORIDE
CAS5041-09-8
Molecular FormulaC4H12ClN
Molecular Weight109.6
InChIInChI=1S/C4H11N.ClH/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKey BSMNBEHEFWDHJD-UHFFFAOYSA-N
SmilesC(C)(C)CN.Cl
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MassMS-NW-0367 isobutylamine hydrochloride C4H11N HCl (Mass of molecular ion: 73)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.0 27.0 2.6 28.0 5.1 29.0 1.7 30.0 100.0 31.0 2.1 35.0 2.5 36.0 20.6 38.0 6.7 39.0 3.4 41.0 6.4 42.0 1.3 43.0 1.5 55.0 3.2 56.0 2.6 57.0 1.3 58.0 2.5 72.0 1.6 73.0 13.0
90 MHz in D2O
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1H NMR 89.56 MHz C4 H11 N 0.038 g : 0.5 ml D2O isobutylamine hydrochloride 
Assign. Shift(ppm)
A 2.859 B 1.959 C 0.998 SOLVENT PEAK REMOVED
Hz ppm Int.260.06 2.904 320 253.00 2.825 396 189.81 2.120 23 183.06 2.044 43 176.44 1.971 52 169.50 1.893 44 162.94 1.820 27 92.38 1.032 1000 85.81 0.959 808 81.44 0.910 28 80.00 0.894 23
KBr disc
nujol mull
