Methyl 3-aminocrotonate(14205-39-1) IR2
Product NameMethyl 3-aminocrotonate
CAS14205-39-1
Molecular FormulaC5H9NO2
Molecular Weight115.13
InChIInChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3
InChIKey XKORCTIIRYKLLG-UHFFFAOYSA-N
SmilesC(OC)(=O)C=C(N)C
-
MassMS-NW-8739 methyl 3-aminocrotonate C5H9NO2 (Mass of molecular ion: 115)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.9 27.0 3.1 28.0 16.3 29.0 4.7 30.0 4.9 31.0 1.2 38.0 1.1 39.0 4.1 40.0 3.6 41.0 9.3 42.0 37.3 43.0 4.3 44.0 3.3 52.0 1.4 54.0 4.8 55.0 4.7 56.0 1.8 57.0 12.3 59.0 1.7 67.0 1.4 68.0 8.9 74.0 1.5 82.0 1.3 83.0 27.5 84.0 100.0 85.0 5.1 115.0 40.1 116.0 2.6
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H9 N O2 0.048 g : 0.5 ml CDCl3 methyl 3-aminocrotonate 
Assign. Shift(ppm)
A 4.52 B 3.636 C 1.903 NH2-PEAK WAS NOT OBSERVED. 400MHZ. : HSP-40-129
Hz ppm Int.405.19 4.525 123 404.75 4.520 121 325.63 3.636 1000 170.63 1.906 582
-
1H NMR 399.65 MHz C5 H9 N O2 0.048 g : 0.5 ml CDCl3 methyl 3-aminocrotonate Assign. Shift(ppm)
A 7.9 B 4.522 C 3.636 D 1.904 90MHZ. : HSP-03-526
Hz ppm Int.1807.37 4.523 176 1806.88 4.522 176 1459.23 3.652 39 1453.37 3.637 1000 761.23 1.905 686
in CDCl3
KBr disc
nujol mull
