Neopentylamine(5813-64-9) IR1
Product NameNeopentylamine
CAS5813-64-9
Molecular FormulaC5H13N
Molecular Weight87.16
InChIInChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey XDIAMRVROCPPBK-UHFFFAOYSA-N
SmilesC(N)C(C)(C)C
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MassMS-NW-8551 neopentylamine C5H13N (Mass of molecular ion: 87)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 1.7 27.0 3.5 28.0 6.1 29.0 10.9 30.0 100.0 31.0 4.3 32.0 6.6 39.0 4.7 41.0 13.3 42.0 1.7 43.0 1.5 44.0 2.3 55.0 13.5 56.0 4.4 57.0 8.1 72.0 10.1 87.0 3.9
parameter in CDCl3
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1H NMR 300 MHz C5 H13 N 0.05 ml : 0.5 ml CDCl3 neopentylamine 
Parameter ppm Hz
D(A) 2.415 D(B) 1.30 D(C) 0.874
Hz ppm Int.724.50 2.415 222 390.01 1.300 67 262.19 0.874 1000
in CDCl3
liquid film
4880 A,200 M,liquid
