Butyl butyrate(109-21-7) 13C NMR
Product NameButyl butyrate
CAS109-21-7
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey XUPYJHCZDLZNFP-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CCC
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MassMS-NW-0909 butyl butyrate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 26.0 1.4 27.0 18.2 28.0 5.7 29.0 21.0 31.0 1.7 39.0 8.4 40.0 1.6 41.0 34.7 42.0 4.6 43.0 57.1 44.0 1.9 45.0 1.2 55.0 7.5 56.0 49.9 57.0 18.4 60.0 10.3 61.0 1.8 70.0 1.2 71.0 100.0 72.0 4.9 73.0 7.3 88.0 4.8 89.0 46.2 90.0 2.1 101.0 4.9 116.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 butyl butyrate 
Assign. Shift(ppm)
A 4.075 B 2.271 C 1.69 D 1.56 E 1.40 F *1 0.95 G *1 0.94
Hz ppm Int.371.50 4.149 187 365.00 4.076 513 358.56 4.004 261 212.19 2.370 150 211.13 2.358 157 204.13 2.280 317 197.44 2.205 269 196.69 2.197 271 166.56 1.860 54 159.94 1.786 104 159.06 1.777 126 158.69 1.772 116 157.81 1.763 63 153.19 1.711 124 152.13 1.699 299 151.06 1.687 177 150.50 1.681 129 149.56 1.670 82 147.81 1.651 52 145.06 1.620 282 144.31 1.612 246 143.81 1.606 283 139.25 1.555 166 138.56 1.548 183 137.19 1.532 265 133.38 1.490 157 132.00 1.474 105 130.38 1.456 81 129.94 1.451 88 129.25 1.444 85 127.56 1.425 110 125.88 1.406 104 122.06 1.363 101 119.06 1.330 104 117.25 1.310 50 115.69 1.292 47 112.69 1.259 87 111.31 1.243 45 92.56 1.034 221 91.88 1.026 470 91.25 1.019 401 90.38 1.010 291 89.50 1.000 261 87.19 0.974 51 86.81 0.970 46 85.00 0.950 1000 83.81 0.936 827 82.19 0.918 226 78.25 0.874 206 77.38 0.865 346 76.31 0.853 271 74.31 0.830 73
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
