2-Ethylbutyric acid (88-09-5) Raman
Product Name2-Ethylbutyric acid
CAS88-09-5
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OXQGTIUCKGYOAA-UHFFFAOYSA-N
SmilesC(O)(=O)C(CC)CC
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MassMS-NW-1290 2-ethylbutyric acid C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.9 18.0 1.1 26.0 2.2 27.0 25.3 28.0 6.6 29.0 25.8 31.0 1.8 32.0 1.3 38.0 1.5 39.0 15.4 40.0 2.3 41.0 30.0 42.0 5.9 43.0 100.0 44.0 3.1 45.0 8.5 53.0 2.2 55.0 17.4 56.0 1.4 57.0 2.1 59.0 1.7 60.0 2.7 68.0 1.0 69.0 7.5 70.0 3.8 71.0 27.8 72.0 1.5 73.0 66.2 74.0 3.7 83.0 1.0 87.0 32.4 88.0 90.1 89.0 4.5 101.0 5.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 2-ethylbutyric acid 
Assign. Shift(ppm)
A 11.7 B 2.220 C 1.60 D 0.95
Hz ppm Int.1045.73 11.677 36 207.90 2.322 47 207.21 2.314 40 200.72 2.242 106 194.23 2.169 80 187.05 2.089 47 160.90 1.797 44 158.76 1.773 30 156.97 1.753 46 153.89 1.719 64 152.95 1.708 129 150.31 1.679 86 149.45 1.669 128 146.97 1.642 94 145.35 1.623 207 142.36 1.590 178 139.71 1.560 60 137.92 1.540 180 135.95 1.518 192 130.57 1.458 82 129.71 1.449 87 91.43 1.021 511 86.39 0.965 48 84.51 0.944 1000 76.90 0.859 289 75.79 0.847 178
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
