N-ACETYLETHYLENEIMINE(460-07-1) 13C NMR
Product NameN-ACETYLETHYLENEIMINE
CAS460-07-1
Molecular FormulaC4H7NO
Molecular Weight85.1
InChIInChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKey OTIXUSNHAKOJBX-UHFFFAOYSA-N
SmilesC(=O)(N1CC1)C
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MassMS-NW-4710 N-acetylethyleneimine C4H7NO (Mass of molecular ion: 85)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 2.2 15.0 10.2 26.0 4.0 27.0 8.2 28.0 12.8 29.0 3.3 30.0 1.2 31.0 3.8 40.0 2.2 41.0 2.5 42.0 8.7 43.0 20.6 44.0 1.2 45.0 2.2 52.0 1.9 54.0 28.5 55.0 100.0 56.0 13.2 84.0 1.6 85.0 41.8 86.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H7 N O 0.04 ml : 0.5 ml CDCl3 N-acetylethyleneimine 
Assign. Shift(ppm)
A 4.231 B 3.814 C 1.970 ASSIGNED BY C-H COSY.
Hz ppm Int.1701.05 4.257 230 1700.56 4.256 222 1691.53 4.233 452 1682.01 4.209 281 1681.64 4.208 268 1535.40 3.842 44 1534.91 3.841 50 1533.94 3.839 126 1533.57 3.838 127 1532.59 3.835 126 1532.10 3.834 126 1531.13 3.832 52 1530.64 3.830 47 1525.51 3.818 76 1524.78 3.816 152 1524.29 3.815 199 1523.32 3.812 167 1522.83 3.811 194 1521.85 3.808 79 1521.36 3.807 77 1516.48 3.795 32 1515.99 3.794 37 1515.01 3.791 91 1514.53 3.790 99 1513.67 3.788 99 1513.06 3.786 96 1512.21 3.784 42 1511.72 3.783 37 788.82 1.974 695 787.48 1.971 1000 785.89 1.967 553
in CDCl3
liquid film
