Ethyl (ethoxymethylene)cyanoacetate(94-05-3) IR1
Product NameEthyl (ethoxymethylene)cyanoacetate
CAS94-05-3
Molecular FormulaC8H11NO3
Molecular Weight169.18
InChIInChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3
InChIKey KTMGNAIGXYODKQ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(C#N)=COCC
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MassMS-IW-5627 ethyl 2-cyano-3-ethoxyacrylate C8H11NO3 (Mass of molecular ion: 169)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 18.0 2.1 19.0 1.1 26.0 2.9 27.0 24.3 28.0 7.4 29.0 68.4 30.0 2.9 31.0 6.1 38.0 1.0 39.0 2.8 40.0 9.5 41.0 5.7 42.0 4.9 43.0 6.7 44.0 3.5 45.0 13.0 46.0 1.1 47.0 4.2 51.0 2.1 52.0 4.4 53.0 3.5 54.0 2.0 55.0 1.1 66.0 1.0 67.0 30.1 68.0 53.2 69.0 22.3 70.0 2.5 71.0 1.7 72.0 2.2 73.0 1.2 75.0 3.2 80.0 1.1 85.0 93.8 86.0 4.9 87.0 1.3 94.0 1.2 95.0 31.1 96.0 66.1 97.0 11.7 98.0 4.3 99.0 1.3 103.0 5.6 108.0 3.5 112.0 7.9 113.0 100.0 114.0 6.9 115.0 3.0 123.0 3.3 124.0 30.4 125.0 4.3 126.0 12.5 127.0 1.1 140.0 2.3 141.0 24.9 142.0 2.7 154.0 1.2 169.0 37.3 170.0 6.0 171.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H11 N O3 0.034 g : 0.5 ml CDCl3 ethyl 2-cyano-3-ethoxyacrylate 
Assign. Shift(ppm)
A 8.032 B 4.366 C 4.273 D 1.451 E 1.329
Hz ppm Int.3210.08 8.033 553 1755.98 4.394 142 1748.78 4.376 408 1741.70 4.359 414 1737.18 4.347 31 1734.50 4.341 149 1718.38 4.300 168 1711.30 4.282 499 1704.10 4.264 495 1697.02 4.247 175 587.16 1.470 523 584.59 1.463 57 579.96 1.452 974 572.88 1.434 511 538.21 1.347 531 531.13 1.329 1000 523.93 1.311 520
in CDCl3
CCl4 solution
KBr disc
nujol mull
