Product NameDimethyl isophthalate
CAS1459-93-4
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChIKey VNGOYPQMJFJDLV-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC=CC(C(OC)=O)=C1
Mass
MS-NW-1698 dimethyl isophthalate C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.7 28.0 2.9 29.0 1.8 38.0 2.4 39.0 2.2 50.0 14.4 51.0 3.1 52.0 4.7 59.0 2.4 63.0 1.7 64.0 1.6 65.0 1.1 66.0 5.7 74.0 4.8 75.0 10.9 76.0 17.7 77.0 9.2 92.0 3.7 103.0 11.1 104.0 5.8 105.0 1.4 107.0 2.7 119.0 5.4 120.0 8.1 135.0 28.2 136.0 2.7 149.0 2.0 163.0 100.0 164.0 10.3 165.0 1.0 193.0 2.1 194.0 25.2 195.0 2.8
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C10 H10 O4 | 0.036 g : 0.5 ml CDCl3 |
dimethyl isophthalate |
Assign. Shift(ppm) |
Hz ppm Int.
779.38 8.703 26 778.88 8.697 25 777.63 8.683 51 777.06 8.677 46 775.88 8.664 31 775.31 8.657 25 741.38 8.279 47 740.88 8.273 47 739.69 8.260 42 739.06 8.253 41 733.56 8.191 64 731.75 8.171 64 681.63 7.611 32 681.06 7.605 28 674.31 7.530 27 673.75 7.523 32 353.63 3.949 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
Dimethyl isophthalate(1459-93-4) MS Atlas of Related Products
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