2-Methylbutyraldehyde(96-17-3) MS
Product Name2-Methylbutyraldehyde
CAS96-17-3
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
InChIKey BYGQBDHUGHBGMD-UHFFFAOYSA-N
SmilesC(=O)C(C)CC
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MassMS-NW-2636 2-methylbutanal C5H10O (Mass of molecular ion: 86)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.3 18.0 2.3 26.0 4.5 27.0 31.1 28.0 9.4 29.0 100.0 30.0 4.0 31.0 1.7 37.0 1.1 38.0 1.9 39.0 18.4 40.0 2.7 41.0 92.4 42.0 5.8 43.0 11.9 44.0 3.8 45.0 3.0 50.0 1.4 51.0 1.5 53.0 3.6 55.0 9.4 56.0 7.8 57.0 95.8 58.0 60.0 59.0 2.7 67.0 1.1 69.0 1.3 70.0 2.3 71.0 4.9 73.0 1.8 74.0 11.1 85.0 1.8 86.0 6.3 87.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O 0.04 ml : 0.5 ml CDCl3 2-methylbutanal 
Assign. Shift(ppm)
A 9.629 B 2.355 C *1 1.70 D *1 1.43 E 1.095 F 0.961
Hz ppm Int.863.16 9.638 391 861.25 9.617 391 209.25 2.337 60 208.59 2.330 49 207.35 2.316 59 206.69 2.308 49 202.88 2.266 41 202.29 2.259 76 201.05 2.245 41 200.39 2.238 73 199.88 2.232 43 195.48 2.183 50 193.58 2.162 49 166.33 1.858 36 164.58 1.838 46 158.35 1.769 100 152.12 1.699 89 150.81 1.684 113 144.43 1.613 86 143.85 1.607 70 143.04 1.598 48 141.65 1.582 90 137.62 1.537 55 135.94 1.518 60 134.55 1.503 118 127.66 1.426 115 121.00 1.352 84 113.82 1.271 45 108.76 1.215 58 101.22 1.131 1000 94.26 1.053 801 93.02 1.039 256 92.14 1.029 401 91.41 1.021 281 84.67 0.946 720 78.59 0.878 146 77.56 0.867 232 76.32 0.853 144
in CDCl3
liquid film
