TEREPHTHALIC ACID 2-HYDROXYETHYL METHYL ESTER(3645-00-9) 1H NMR
Product NameTEREPHTHALIC ACID 2-HYDROXYETHYL METHYL ESTER
CAS3645-00-9
Molecular FormulaC11H12O5
Molecular Weight224.21
InChIInChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
InChIKey DJQMYWWZWUOCBQ-UHFFFAOYSA-N
SmilesC1(C(OCCO)=O)=CC=C(C(OC)=O)C=C1
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MassMS-IW-9282 2-hydroxyethyl methyl terephthalate C11H12O5 (Mass of molecular ion: 224)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.0 27.0 1.3 28.0 2.2 29.0 1.6 31.0 2.1 39.0 1.2 43.0 1.4 44.0 4.5 45.0 1.5 50.0 6.2 51.0 1.7 52.0 2.0 59.0 3.9 65.0 4.8 66.0 2.0 74.0 1.9 75.0 6.2 76.0 10.0 77.0 6.0 91.0 1.3 92.0 1.6 93.0 1.6 103.0 12.2 104.0 10.1 105.0 5.9 119.0 2.6 120.0 4.8 121.0 4.1 132.0 1.4 135.0 19.1 136.0 2.0 149.0 12.0 150.0 1.2 163.0 100.0 164.0 10.2 165.0 1.2 179.0 2.1 181.0 69.6 182.0 7.0 193.0 10.9 194.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H12 O5 0.038 g : 0.5 ml CDCl3 2-hydroxyethyl methyl terephthalate 
Assign. Shift(ppm)
A *1 8.102 B *1 8.072 C 4.486 D 3.980 E 3.944 F 2.66
Hz ppm Int.3245.97 8.123 30 3244.87 8.120 117 3244.02 8.118 83 3242.68 8.114 54 3238.28 8.103 95 3236.33 8.098 356 3229.25 8.081 353 3226.93 8.075 83 3222.53 8.064 54 3221.19 8.061 83 3220.46 8.059 114 1797.61 4.498 164 1794.19 4.490 100 1792.97 4.487 164 1791.38 4.483 98 1788.09 4.475 174 1595.46 3.993 145 1592.29 3.985 89 1590.70 3.981 144 1589.36 3.977 90 1586.06 3.969 133 1576.66 3.946 1000
in CDCl3
KBr disc
nujol mull
