2-ETHYLCROTONALDEHYDE(19780-25-7) MS
Product Name2-ETHYLCROTONALDEHYDE
CAS19780-25-7
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3
InChIKey IQGZCSXWIRBTRW-UHFFFAOYSA-N
SmilesC(=O)C(CC)=CC
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MassMS-NW-1224 2-ethyl-2-butenal C6H10O (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.1 18.0 1.6 26.0 2.7 27.0 24.5 28.0 4.5 29.0 18.5 31.0 1.2 37.0 1.7 38.0 3.9 39.0 32.5 40.0 4.4 41.0 100.0 42.0 15.9 43.0 11.8 44.0 1.9 45.0 1.1 50.0 3.1 51.0 4.5 52.0 1.9 53.0 11.4 54.0 4.6 55.0 36.9 56.0 4.0 57.0 2.8 58.0 1.6 63.0 1.3 65.0 2.6 67.0 5.7 68.0 1.1 69.0 33.6 70.0 5.5 71.0 1.2 77.0 1.5 79.0 7.7 80.0 1.4 83.0 30.4 84.0 1.7 97.0 8.6 98.0 82.2 99.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.04 ml : 0.5 ml CDCl3 2-ethyl-2-butenal 
Assign. Shift(ppm)
A 9.36 B 6.55 C 2.27 D 1.99 E 0.97
Hz ppm Int.838.38 9.362 524 596.75 6.664 59 589.69 6.585 176 582.75 6.507 181 575.69 6.428 64 216.38 2.417 57 215.75 2.410 71 215.19 2.403 60 208.13 2.324 235 200.75 2.242 270 200.25 2.236 245 194.25 2.169 80 193.69 2.163 114 193.19 2.158 131 182.50 2.038 622 182.00 2.033 1000 181.50 2.027 518 179.00 1.999 35 175.00 1.954 966 94.06 1.051 487 91.88 1.026 35 86.75 0.969 979 79.00 0.883 359
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
