2-BUTYNAL DIETHYL ACETAL(2806-97-5) 13C NMR
Product Name2-BUTYNAL DIETHYL ACETAL
CAS2806-97-5
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3
InChIKey FKKVKKSEVMQYER-UHFFFAOYSA-N
SmilesC(OCC)(OCC)C#CC
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MassMS-NW-7301 2-butyn-1-al diethyl acetal C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.0 26.0 1.0 27.0 6.1 28.0 1.3 29.0 9.4 31.0 3.2 38.0 1.4 39.0 10.1 40.0 1.7 41.0 13.2 43.0 5.3 45.0 3.5 47.0 1.4 50.0 1.3 51.0 2.2 52.0 3.5 53.0 1.0 67.0 5.2 68.0 2.6 69.0 82.6 70.0 4.3 85.0 5.4 97.0 100.0 98.0 7.2 99.0 1.0 113.0 1.7 141.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 2-butyn-1-al diethyl acetal 
Assign. Shift(ppm)
A 5.226 B *1 3.71 C *1 3.58 D 1.877 E 1.229 J(B,C)=-9.6HZ J(A,D)=1.8HZ
Hz ppm Int.470.69 5.256 40 468.94 5.237 107 467.19 5.217 108 465.31 5.196 41 344.25 3.844 51 342.00 3.819 61 337.06 3.764 62 334.81 3.739 164 333.44 3.724 72 330.00 3.685 40 327.63 3.659 182 326.38 3.645 174 324.00 3.618 37 320.50 3.579 91 319.38 3.567 177 316.94 3.539 64 312.38 3.488 77 309.88 3.461 66 169.19 1.890 570 167.38 1.869 568 119.19 1.331 35 117.06 1.308 502 113.63 1.269 43 110.00 1.229 1000 107.75 1.204 79 105.44 1.178 46 102.94 1.150 407
in CDCl3
liquid film
