3-CYANOPROPIONALDEHYDE DIMETHYL ACETAL(14618-78-1) MS
Product Name3-CYANOPROPIONALDEHYDE DIMETHYL ACETAL
CAS14618-78-1
Molecular FormulaC6H11NO2
Molecular Weight129.16
InChIInChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3
InChIKey XJHNCGVHPLDMRK-UHFFFAOYSA-N
SmilesC(#N)CCC(OC)OC
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MassMS-NW-1025 3-cyanopropionaldehyde dimethyl acetal C6H11NO2 (Mass of molecular ion: 129)
Source Temperature: 270 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.0 15.0 12.4 18.0 2.0 26.0 2.8 27.0 8.9 28.0 9.5 29.0 17.1 30.0 3.0 31.0 16.7 32.0 4.1 38.0 1.5 39.0 5.1 40.0 2.2 41.0 15.7 42.0 26.1 43.0 4.9 44.0 1.6 45.0 8.0 47.0 13.6 51.0 1.1 52.0 3.5 53.0 1.4 54.0 8.3 55.0 4.8 57.0 3.7 58.0 7.0 59.0 1.2 66.0 2.7 67.0 3.3 68.0 7.0 69.0 1.7 70.0 5.3 71.0 1.3 75.0 82.7 76.0 2.8 82.0 4.3 96.0 4.0 97.0 8.2 98.0 100.0 99.0 6.1 128.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 N O2 0.04 ml : 0.5 ml CDCl3 3-cyanopropionaldehyde dimethyl acetal 
Assign. Shift(ppm)
A 4.453 B 3.369 C 2.41 D 1.94
Hz ppm Int.404.38 4.516 24 399.00 4.456 50 393.69 4.396 28 301.69 3.369 1000 299.25 3.342 24 224.94 2.512 23 218.06 2.435 31 217.06 2.424 34 216.38 2.417 61 210.25 2.348 45 209.31 2.338 46 183.50 2.049 24 182.50 2.038 27 178.13 1.989 25 177.31 1.980 27 176.44 1.971 41 175.56 1.961 22 171.06 1.911 44 169.31 1.891 25
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
