Ethyl 3-(benzylamino)propanoate(23583-21-3) 13C NMR
Product NameEthyl 3-(benzylamino)propanoate
CAS23583-21-3
Molecular FormulaC12H17NO2
Molecular Weight207.27
InChIInChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey HCTJHQFFNDLDPF-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)NCCC(=O)OCC
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MassMS-IW-4784 ethyl 3-(benzylamino)propionate C12H17NO2 (Mass of molecular ion: 207)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.5 28.0 3.4 29.0 3.8 30.0 1.6 39.0 2.5 41.0 1.7 42.0 5.6 43.0 5.4 44.0 1.3 45.0 1.7 51.0 2.4 55.0 3.2 56.0 1.1 63.0 1.6 65.0 8.8 70.0 3.5 73.0 1.2 74.0 2.6 77.0 2.9 78.0 1.6 79.0 2.6 84.0 3.9 88.0 1.0 89.0 2.2 90.0 1.4 91.0 100.0 92.0 9.9 104.0 2.4 105.0 1.3 106.0 68.8 107.0 7.2 116.0 11.8 117.0 1.7 118.0 10.5 119.0 3.9 120.0 38.7 121.0 3.5 130.0 1.3 132.0 1.3 206.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H17 N O2 0.05 ml : 0.5 ml CDCl3 ethyl 3-(benzylamino)propionate 
Assign. Shift(ppm)
A 7.31 B 7.23 C 4.121 D 3.783 E 2.877 F 2.508 G 1.91 J 1.236
Hz ppm Int.2922.24 7.312 715 2917.60 7.301 675 2896.73 7.249 71 2892.58 7.238 90 2891.60 7.236 74 2888.43 7.228 100 2884.28 7.218 58 1657.96 4.149 140 1650.76 4.131 402 1643.68 4.113 401 1636.47 4.095 146 1512.08 3.784 615 1156.74 2.895 198 1150.27 2.879 392 1143.80 2.863 229 1008.67 2.524 228 1002.20 2.508 394 995.73 2.492 189 761.96 1.907 48 501.22 1.255 517 494.02 1.237 1000 486.82 1.219 535
in CDCl3
liquid film
