Dibutyl oxalate(2050-60-4) MS
Product NameDibutyl oxalate
CAS2050-60-4
Molecular FormulaC10H18O4
Molecular Weight202.25
InChIInChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
InChIKey JKRZOJADNVOXPM-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(OCCCC)=O
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MassMS-NW-0839 dibutyl oxalate C10H18O4 (Mass of molecular ion: 202)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 8.8 28.0 4.5 29.0 42.1 30.0 1.0 31.0 1.7 39.0 5.1 41.0 40.5 42.0 3.0 43.0 4.3 44.0 1.1 55.0 6.1 56.0 23.5 57.0 100.0 58.0 4.4 103.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H18 O4 0.04 ml : 0.5 ml CDCl3 dibutyl oxalate 
Assign. Shift(ppm)
A 4.287 B 1.71 C 1.42 D 0.96
Hz ppm Int.391.00 4.366 381 387.31 4.325 46 384.50 4.294 1000 377.94 4.220 525 376.44 4.204 75 168.44 1.881 41 163.31 1.824 83 162.06 1.810 120 161.69 1.806 119 159.75 1.784 82 158.25 1.767 71 157.19 1.756 80 155.25 1.734 235 154.31 1.723 173 153.25 1.712 154 148.75 1.661 225 147.81 1.651 207 145.31 1.623 93 144.75 1.617 112 143.06 1.598 104 142.06 1.587 138 141.19 1.577 99 139.31 1.556 106 138.25 1.544 146 137.56 1.536 174 135.69 1.516 61 134.63 1.504 55 133.19 1.488 137 132.13 1.476 174 131.63 1.470 162 130.06 1.453 212 128.50 1.435 83 127.69 1.426 80 126.00 1.407 161 123.31 1.377 207 119.56 1.335 77 116.63 1.303 179 115.56 1.291 103 110.19 1.231 84 93.13 1.040 275 92.06 1.028 464 91.50 1.022 446 88.50 0.989 69 85.56 0.956 951 84.13 0.940 396 81.00 0.905 74 79.19 0.885 156 78.13 0.873 219 76.31 0.853 130
in CDCl3
liquid film
4880 A,200 M,liquid
