3-Amino-2-butenoic acid ethyl ester(7318-00-5) IR1
Product Name3-Amino-2-butenoic acid ethyl ester
CAS7318-00-5
Molecular FormulaC6H11NO2
Molecular Weight129.16
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3
InChIKey YPMPTULBFPFSEQ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C=C(N)C
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MassMS-NW-6578 ethyl 3-amino-2-butenoate C6H11NO2 (Mass of molecular ion: 129)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.4 15.0 3.6 18.0 3.3 26.0 3.4 27.0 9.5 28.0 14.2 29.0 8.8 30.0 5.0 31.0 8.0 38.0 1.4 39.0 4.3 40.0 6.4 41.0 12.5 42.0 32.0 43.0 5.7 44.0 5.3 45.0 4.8 46.0 1.6 52.0 1.1 54.0 4.0 55.0 4.5 56.0 1.2 57.0 43.1 58.0 1.8 60.0 1.2 67.0 1.2 68.0 8.0 82.0 1.0 83.0 21.3 84.0 100.0 85.0 8.1 86.0 1.2 88.0 1.2 101.0 3.3 129.0 33.0 130.0 2.6
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C6 H11 N O2 0.05 ml : 0.5 ml CDCl3 ethyl 3-amino-2-butenoate 
Assign. Shift(ppm)
A 6.34 B 4.500 C 4.093 D 1.881 E 1.239 J(B,D)=-0.5HZ
Hz ppm Int.403.38 4.505 213 402.75 4.497 212 377.50 4.216 118 370.31 4.135 387 363.25 4.056 403 356.25 3.978 135 168.81 1.885 1000 168.31 1.880 997 118.00 1.318 443 115.81 1.294 40 115.13 1.286 39 114.81 1.282 40 114.38 1.278 40 113.94 1.273 42 111.00 1.240 887 105.81 1.182 37 103.81 1.160 388
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in CDCl3
liquid film
nujol mull
