2-Butoxyethyl acetate(112-07-2) 13C NMR
Product Name2-Butoxyethyl acetate
CAS112-07-2
Molecular FormulaC8H16O3
Molecular Weight160.21
InChIInChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChIKey NQBXSWAWVZHKBZ-UHFFFAOYSA-N
SmilesC(OC(=O)C)COCCCC
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MassMS-NW-2124 ethylene glycol monobutyl ether acetate C8H16O3 (Mass of molecular ion: 160)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.7 18.0 1.0 27.0 7.4 28.0 5.4 29.0 22.4 31.0 2.4 32.0 1.3 39.0 3.5 41.0 26.0 42.0 2.3 43.0 85.9 44.0 11.5 45.0 9.5 55.0 3.9 56.0 50.0 57.0 100.0 58.0 4.8 61.0 7.0 70.0 1.8 71.0 2.6 72.0 1.4 73.0 2.9 74.0 7.1 75.0 1.0 85.0 17.8 86.0 1.1 87.0 33.7 88.0 11.5 100.0 9.2 117.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O3 0.04 ml : 0.5 ml CDCl3 ethylene glycol monobutyl ether acetate 
Assign. Shift(ppm)
A 4.21 B 3.63 C 3.47 D 2.082 E 1.56 F 1.37 G 0.93
Hz ppm Int.382.44 4.271 92 377.81 4.219 115 376.19 4.201 63 372.81 4.163 141 329.06 3.675 156 326.38 3.645 55 325.69 3.637 71 324.13 3.620 126 323.19 3.609 79 322.50 3.601 49 319.56 3.569 101 317.50 3.546 76 311.00 3.473 204 304.69 3.403 97 186.44 2.082 1000 142.06 1.587 46 141.06 1.576 46 139.44 1.557 40 137.69 1.538 41 135.56 1.514 71 134.44 1.502 57 132.88 1.484 49 132.19 1.476 58 131.69 1.471 54 131.06 1.464 47 129.63 1.448 35 128.81 1.439 42 126.63 1.414 45 125.00 1.396 39 121.38 1.356 42 118.13 1.320 38 111.94 1.250 30 89.25 0.997 105 82.69 0.924 228 81.19 0.907 66 76.56 0.855 36 75.31 0.841 43
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
