Dimethyl phthalate(131-11-3) 13C NMR
Product NameDimethyl phthalate
CAS131-11-3
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKey NIQCNGHVCWTJSM-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC=CC=C1C(OC)=O
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MassMS-NW-5550 dimethyl phthalate C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.4 28.0 1.4 29.0 1.2 38.0 1.1 39.0 1.3 50.0 7.2 51.0 2.6 52.0 1.2 63.0 1.3 64.0 2.1 66.0 1.3 74.0 2.3 75.0 2.5 76.0 8.4 77.0 18.3 78.0 1.4 79.0 1.4 92.0 7.3 104.0 4.7 105.0 3.1 120.0 2.1 133.0 4.4 135.0 7.5 163.0 100.0 164.0 10.2 165.0 1.1 194.0 6.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H10 O4 0.04 ml : 0.5 ml CDCl3 dimethyl phthalate 
Assign. Shift(ppm)
A 7.73 B 7.53 C 3.905
Hz ppm Int.697.19 7.785 31 693.81 7.747 35 693.44 7.743 28 691.94 7.726 27 690.69 7.713 40 688.13 7.684 71 687.69 7.679 63 684.19 7.640 23 682.19 7.618 23 678.69 7.579 71 678.19 7.573 58 675.63 7.544 33 674.44 7.531 26 672.88 7.514 33 669.38 7.475 31 349.81 3.906 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
