TRANS-2-METHYL-2-BUTENAL(497-03-0) 1H NMR
Product NameTRANS-2-METHYL-2-BUTENAL
CAS497-03-0
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
InChIKey ACWQBUSCFPJUPN-HWKANZROSA-N
SmilesC(=O)/C(/C)=C/C
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MassMS-IW-9114 (E)-2-methyl-2-butenal C5H8O (Mass of molecular ion: 84)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 4.3 27.0 30.3 28.0 11.0 29.0 45.7 30.0 1.0 31.0 1.0 37.0 1.9 38.0 3.1 39.0 28.9 40.0 3.8 41.0 28.7 42.0 2.0 43.0 4.2 44.0 5.2 45.0 2.0 49.0 1.4 50.0 5.9 51.0 6.3 52.0 2.0 53.0 16.9 54.0 4.1 55.0 97.4 56.0 9.6 57.0 1.8 65.0 1.5 66.0 1.1 69.0 3.5 83.0 14.0 84.0 100.0 85.0 7.1 98.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O 0.05 ml : 0.5 ml CDCl3 (E)-2-methyl-2-butenal 
Assign. Shift(ppm)
A 9.403 B 6.628 C 1.991 D 1.749
Hz ppm Int.3758.09 9.404 848 2659.91 6.656 76 2658.54 6.653 79 2657.17 6.649 35 2654.42 6.642 82 2652.89 6.639 199 2651.52 6.635 208 2650.15 6.632 86 2647.40 6.625 85 2646.03 6.621 201 2644.50 6.618 190 2643.13 6.614 79 2639.01 6.604 74 2637.63 6.600 70 800.78 2.004 402 799.71 2.002 742 798.65 1.999 701 797.58 1.996 335 793.76 1.987 346 792.69 1.984 698 791.63 1.981 684 790.56 1.979 341 705.87 1.767 54 704.35 1.763 76 700.99 1.755 483 699.92 1.752 914 698.85 1.749 1000 697.48 1.746 788 696.41 1.743 394
in CDCl3
Liquid film
