Dimethyl terephthalate(120-61-6) 13C NMR
Product NameDimethyl terephthalate
CAS120-61-6
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChIKey WOZVHXUHUFLZGK-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC=C(C(OC)=O)C=C1
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MassMS-NW-6813 dimethyl terephthalate C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.9 28.0 1.1 38.0 1.1 50.0 7.1 51.0 1.3 52.0 2.9 59.0 1.6 66.0 3.1 74.0 2.9 75.0 6.1 76.0 8.2 77.0 4.9 92.0 2.0 103.0 11.0 104.0 6.5 105.0 1.2 119.0 3.4 120.0 5.5 135.0 18.2 136.0 1.7 163.0 100.0 164.0 10.3 165.0 1.1 179.0 2.3 194.0 28.5 195.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H10 O4 0.047 g : 0.5 ml CDCl3 dimethyl terephthalate 
Assign. Shift(ppm)
A 8.09 B 3.94
Hz ppm Int.724.50 8.090 760 353.00 3.942 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
