Butyraldehyde(123-72-8) MS
Product NameButyraldehyde
CAS123-72-8
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChIKey ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
SmilesC(=O)CCC
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MassMS2017-05407CM butyraldehyde C4H8O (Mass of molecular ion: 72)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.8 15.0 3.9 18.0 2.1 26.0 6.1 27.0 53.7 28.0 14.1 29.0 41.2 31.0 1.9 37.0 2.9 38.0 5.2 39.0 27.6 40.0 3.6 41.0 70.0 42.0 9.1 43.0 74.4 44.0 100.0 45.0 3.0 50.0 1.4 53.0 1.6 54.0 3.5 55.0 2.2 57.0 31.5 58.0 1.1 71.0 8.9 72.0 92.8 73.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 O 0.04 ml : 0.5 ml CDCl3 butyraldehyde 
Assign. Shift(ppm)
A 9.764 B 2.37 C 1.64 D 0.97
Hz ppm Int.876.34 9.785 203 874.51 9.765 396 872.68 9.745 208 224.85 2.511 107 223.97 2.501 126 223.02 2.491 113 222.14 2.481 124 217.02 2.424 305 216.14 2.414 291 215.70 2.409 214 215.11 2.402 264 210.42 2.350 228 209.77 2.343 388 209.18 2.336 304 208.67 2.330 356 207.93 2.322 233 202.59 2.263 228 201.78 2.254 275 168.02 1.877 70 161.50 1.804 137 160.47 1.792 195 154.54 1.726 166 153.52 1.715 380 152.56 1.704 249 148.61 1.660 60 147.51 1.648 134 147.00 1.642 200 146.56 1.637 263 145.39 1.624 330 140.92 1.574 64 140.04 1.564 103 138.65 1.549 237 132.28 1.477 75 131.76 1.472 107 95.00 1.061 209 94.26 1.053 480 93.60 1.046 606 93.02 1.039 318 90.31 1.009 59 88.92 0.993 100 87.38 0.976 635 86.72 0.969 1000 86.13 0.962 639 82.25 0.919 84 80.57 0.900 153 79.76 0.891 331 79.10 0.884 335 78.00 0.871 184
in CDCl3
CCl4 solution
Liquid film
4880 A,200 M,liquid
