2-ETHYLBUTYRALDEHYDE(97-96-1) IR1
Product Name2-ETHYLBUTYRALDEHYDE
CAS97-96-1
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChIKey UNNGUFMVYQJGTD-UHFFFAOYSA-N
SmilesC(=O)C(CC)CC
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MassMS-IW-6724 2-ethylbutyraldehyde C6H12O (Mass of molecular ion: 100)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 14.9 28.0 2.0 29.0 22.2 39.0 10.9 40.0 1.3 41.0 27.5 42.0 4.9 43.0 100.0 44.0 5.5 53.0 2.7 54.0 1.6 55.0 12.6 56.0 2.9 57.0 15.3 58.0 3.8 59.0 1.2 67.0 2.6 69.0 1.7 70.0 2.9 71.0 34.2 72.0 48.1 73.0 3.1 82.0 4.9 88.0 1.5 100.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 2-ethylbutyraldehyde 
Assign. Shift(ppm)
A 9.587 B 2.121 C *1 1.67 D *1 1.53 E 0.918
Hz ppm Int.3833.16 9.592 278 3830.26 9.585 292 858.31 2.148 31 855.56 2.141 43 853.12 2.135 43 850.37 2.128 69 847.63 2.121 69 845.03 2.115 48 842.59 2.109 51 839.69 2.102 38 684.66 1.714 88 677.03 1.695 127 670.62 1.679 148 669.56 1.676 107 662.99 1.659 198 655.52 1.641 143 648.04 1.622 47 632.93 1.584 42 627.44 1.570 46 625.46 1.566 117 619.81 1.551 116 617.98 1.547 130 612.34 1.533 131 611.57 1.531 99 610.50 1.528 67 605.77 1.516 77 604.86 1.514 69 603.94 1.512 89 598.45 1.498 73 596.47 1.493 37 590.97 1.479 30 374.60 0.938 577 366.97 0.919 1000 359.50 0.900 617
in CDCl3
liquid film
