4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER(3204-73-7) IR1
Product Name4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER
CAS3204-73-7
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3
InChIKey VFBYWNSASHHPPA-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(OCCO)C=C1
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MassMS-IW-5647 methyl p-(2-hydroxyethoxy)benzoate C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.8 27.0 1.0 39.0 2.3 43.0 1.0 45.0 6.5 50.0 1.9 59.0 1.6 63.0 1.8 64.0 1.5 65.0 6.2 75.0 1.7 76.0 2.8 77.0 2.6 91.0 2.3 92.0 2.0 93.0 8.1 94.0 1.1 103.0 3.0 104.0 1.7 105.0 1.2 107.0 1.3 109.0 2.2 119.0 1.2 120.0 2.5 121.0 100.0 122.0 8.2 123.0 1.1 135.0 6.0 151.0 3.1 152.0 30.6 153.0 10.8 165.0 14.9 166.0 1.5 196.0 42.3 197.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O4 0.039 g : 0.5 ml CDCl3 methyl p-(2-hydroxyethoxy)benzoate 
Assign. Shift(ppm)
A 7.979 B 6.919 C 4.124 D 3.98 E 3.882 F 2.54
Hz ppm Int.3196.41 7.999 35 3193.60 7.991 266 3191.53 7.986 81 3186.77 7.974 89 3184.57 7.969 271 3181.76 7.962 31 2772.46 6.938 34 2769.65 6.931 248 2767.58 6.926 75 2762.82 6.914 80 2760.74 6.908 236 2757.93 6.901 27 1653.20 4.137 118 1651.49 4.133 41 1648.93 4.126 171 1647.58 4.123 106 1644.04 4.114 178 1592.29 3.985 78 1551.51 3.883 1000 1015.50 2.541 41
in CDCl3
KBr disc
nujol mull
