Butyl propionate(590-01-2) 1H NMR
Product NameButyl propionate
CAS590-01-2
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChIKey BTMVHUNTONAYDX-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CC
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MassMS2016-05355CW butyl propionate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
26.0 1.2 27.0 8.5 28.0 5.9 29.0 31.3 31.0 1.9 39.0 4.0 41.0 18.9 42.0 1.0 43.0 2.3 55.0 7.3 56.0 37.9 57.0 100.0 58.0 3.4 71.0 2.8 73.0 1.5 74.0 3.1 75.0 31.3 76.0 1.1 87.0 9.0 101.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 butyl propionate 
Assign. Shift(ppm)
A 4.075 B 2.314 C 1.61 D 1.42 E 1.143 F 0.94
Hz ppm Int.371.50 4.149 185 365.06 4.077 488 358.56 4.004 261 219.50 2.451 85 218.94 2.445 93 211.38 2.361 368 203.81 2.276 423 196.81 2.198 128 196.31 2.192 135 151.75 1.695 69 149.56 1.670 62 145.19 1.622 129 142.88 1.596 103 139.38 1.557 147 139.00 1.553 153 137.31 1.534 135 133.38 1.490 159 131.94 1.474 109 129.31 1.444 80 127.63 1.426 115 125.88 1.406 105 122.13 1.364 106 119.13 1.331 110 117.13 1.308 61 115.81 1.294 50 112.69 1.259 96 111.44 1.245 50 109.38 1.222 493 106.13 1.186 61 102.13 1.141 1000 101.75 1.137 817 94.25 1.053 366 90.13 1.007 271 89.56 1.000 258 86.75 0.969 50 86.38 0.965 51 83.75 0.936 560 82.25 0.919 186 77.44 0.865 86 76.25 0.852 118 74.31 0.830 55
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
