Diethyl phthalate (84-66-2) 13C NMR
Product NameDiethyl phthalate
CAS84-66-2
Molecular FormulaC12H14O4
Molecular Weight222.24
InChIInChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey FLKPEMZONWLCSK-UHFFFAOYSA-N
SmilesC1(C(OCC)=O)=CC=CC=C1C(OCC)=O
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MassMS-NW-5524 diethyl phthalate C12H14O4 (Mass of molecular ion: 222)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.1 28.0 1.5 29.0 8.2 39.0 2.4 45.0 1.1 50.0 4.7 51.0 2.1 52.0 1.0 65.0 8.5 66.0 2.2 74.0 1.2 75.0 1.4 76.0 7.9 77.0 3.9 93.0 6.4 104.0 6.5 105.0 7.9 106.0 1.5 121.0 5.6 122.0 3.2 132.0 1.5 149.0 100.0 150.0 12.6 151.0 1.3 176.0 8.1 177.0 27.4 178.0 6.1 222.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H14 O4 0.04 ml : 0.5 ml CDCl3 diethyl phthalate 
Assign. Shift(ppm)
A 7.71 B 7.53 C 4.363 D 1.366
Hz ppm Int.696.63 7.779 84 693.25 7.741 102 691.38 7.720 69 690.25 7.708 107 687.63 7.678 191 687.19 7.673 155 683.69 7.634 54 680.81 7.602 53 677.19 7.562 191 674.13 7.528 88 673.00 7.515 68 671.38 7.497 95 667.94 7.459 85 401.94 4.488 120 394.69 4.407 422 387.50 4.327 448 380.56 4.250 145 129.31 1.444 463 122.25 1.366 1000 115.06 1.285 410
in CDCl3
CCl4 solution
liquid film
