Diethyl pimelate(2050-20-6) MS
Product NameDiethyl pimelate
CAS2050-20-6
Molecular FormulaC11H20O4
Molecular Weight216.27
InChIInChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3
InChIKey LKKOGZVQGQUVHF-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCC(OCC)=O
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MassMS-IW-2195 diethyl pimelate C11H20O4 (Mass of molecular ion: 216)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.3 27.0 14.3 28.0 7.5 29.0 48.0 30.0 1.4 31.0 2.4 39.0 5.7 40.0 1.6 41.0 23.2 42.0 16.2 43.0 16.2 44.0 1.2 45.0 13.3 48.0 3.7 49.0 6.8 53.0 2.1 54.0 3.7 55.0 45.9 56.0 5.0 57.0 3.5 59.0 5.1 60.0 24.2 61.0 16.2 63.0 5.5 67.0 3.5 68.0 13.7 69.0 49.6 70.0 16.5 71.0 6.6 73.0 26.7 74.0 3.2 79.0 2.2 80.0 1.5 81.0 2.4 82.0 1.8 83.0 29.5 84.0 2.0 85.0 1.2 86.0 2.0 87.0 5.2 88.0 37.2 89.0 2.6 95.0 1.8 96.0 8.3 97.0 40.2 98.0 7.3 99.0 3.0 100.0 1.2 101.0 71.7 102.0 5.2 113.0 2.8 114.0 14.5 115.0 12.5 116.0 2.3 123.0 1.6 124.0 21.9 125.0 100.0 126.0 9.6 127.0 2.3 128.0 7.9 129.0 78.2 130.0 6.1 141.0 2.7 142.0 27.8 143.0 9.3 144.0 4.3 170.0 9.1 171.0 80.6 172.0 8.2 173.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H20 O4 0.05 ml : 0.5 ml CDCl3 diethyl pimelate 
Assign. Shift(ppm)
A 4.124 B 2.301 C 1.65 D 1.36 E 1.254
Hz ppm Int.1659.06 4.152 170 1651.86 4.134 488 1644.78 4.116 505 1637.70 4.098 180 927.49 2.321 235 919.92 2.302 395 912.48 2.284 276 673.58 1.686 60 666.02 1.667 157 663.94 1.662 53 658.20 1.647 207 650.51 1.628 161 643.07 1.610 75 560.18 1.402 30 554.93 1.389 42 552.49 1.383 65 551.27 1.380 52 548.10 1.372 35 545.04 1.364 101 542.85 1.359 39 539.43 1.350 35 536.99 1.344 43 508.42 1.273 535 504.52 1.263 43 501.10 1.254 1000 494.14 1.237 557
in CDCl3
liquid film
