DL-MALIC ACID DIETHYL ESTER(626-11-9) IR1
Product NameDL-MALIC ACID DIETHYL ESTER
CAS626-11-9
Molecular FormulaC8H14O5
Molecular Weight190.19
InChIInChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
InChIKey VKNUORWMCINMRB-UHFFFAOYSA-N
SmilesC(C(=O)OCC)C(O)C(=O)OCC
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MassMS-NW-1312 diethyl DL-malate C8H14O5 (Mass of molecular ion: 190)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 5.5 18.0 1.8 19.0 6.7 26.0 3.4 27.0 20.0 28.0 5.3 29.0 57.0 30.0 1.6 31.0 7.8 42.0 6.1 43.0 38.9 44.0 14.0 45.0 16.0 46.0 1.1 47.0 8.9 53.0 1.0 54.0 1.2 55.0 5.9 60.0 5.2 61.0 1.8 70.0 1.0 71.0 100.0 72.0 7.8 73.0 3.9 75.0 18.5 82.0 1.2 88.0 5.9 89.0 39.2 90.0 2.4 99.0 9.0 100.0 3.3 116.0 4.1 117.0 97.4 118.0 9.6 119.0 1.0 126.0 1.9 127.0 13.0 128.0 3.4 144.0 2.6 145.0 11.7 174.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O5 0.04 ml : 0.5 ml CDCl3 diethyl DL-malate 
Assign. Shift(ppm)
A 4.49 B 4.258 C 4.181 D 3.38 E *1 2.86 F *1 2.76 G 1.308 J 1.271
Hz ppm Int.407.88 4.555 97 402.19 4.491 141 397.19 4.435 109 393.06 4.389 89 385.88 4.309 327 384.75 4.297 142 383.25 4.280 48 382.44 4.271 58 378.75 4.230 398 377.50 4.216 364 375.31 4.191 66 371.63 4.150 182 370.38 4.136 358 363.31 4.057 117 302.50 3.378 106 265.19 2.962 39 261.38 2.919 39 260.19 2.906 32 257.69 2.878 32 256.88 2.869 31 254.88 2.846 363 250.13 2.793 215 249.00 2.781 217 125.50 1.402 53 123.69 1.382 412 121.94 1.362 99 120.69 1.348 475 118.38 1.322 126 116.63 1.303 889 114.81 1.282 185 113.56 1.268 1000 111.25 1.243 80 109.44 1.222 378 107.63 1.202 91 106.38 1.188 418
in CDCl3
CCl4 solution
Liquid film
4880 A,200 M,liquid
