Ethyl 4-hydroxy-3-methoxybenzoate(617-05-0) IR1
Product NameEthyl 4-hydroxy-3-methoxybenzoate
CAS617-05-0
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChIKey MWAYRGBWOVHDDZ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(O)C(OC)=C1
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MassMS-NW-1939 ethyl vanillate C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 2.4 29.0 2.9 39.0 1.7 41.0 1.9 50.0 2.1 51.0 5.2 52.0 7.5 53.0 2.6 55.0 1.9 62.0 1.2 63.0 2.4 65.0 4.5 67.0 1.5 77.0 2.6 79.0 3.2 80.0 2.8 81.0 1.4 92.0 1.4 93.0 1.6 95.0 1.1 97.0 2.5 108.0 5.5 109.0 3.0 120.0 1.2 121.0 1.0 122.0 1.4 123.0 12.1 124.0 2.3 125.0 2.6 136.0 1.6 137.0 2.1 151.0 100.0 152.0 12.3 153.0 8.8 168.0 18.4 169.0 1.6 181.0 4.6 196.0 55.3 197.0 6.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O4 0.046 g : 0.5 ml CDCl3 ethyl vanillate 
Assign. Shift(ppm)
A 7.639 B 7.553 C 6.938 D 6.16 E 4.349 F 3.925 G 1.381
Hz ppm Int.689.81 7.703 60 687.88 7.681 78 681.63 7.611 57 679.75 7.590 118 677.06 7.560 174 675.31 7.541 102 624.94 6.978 167 616.75 6.887 128 552.06 6.165 259 400.50 4.472 67 393.38 4.393 236 386.25 4.313 250 379.13 4.234 81 351.50 3.925 1000 130.63 1.459 259 123.56 1.380 523 116.38 1.300 230
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,powder
