Ethyl 4-methoxybenzoate(94-30-4) MS
Product NameEthyl 4-methoxybenzoate
CAS94-30-4
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey FHUODBDRWMIBQP-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(OC)C=C1
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MassMS-NW-0583 ethyl anisate C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.8 28.0 1.1 29.0 2.9 38.0 1.9 39.0 1.2 50.0 2.5 51.0 1.6 62.0 1.0 63.0 4.1 64.0 6.3 65.0 1.7 75.0 1.0 76.0 1.7 77.0 13.1 78.0 1.4 79.0 1.1 92.0 9.7 93.0 1.0 107.0 7.6 108.0 1.6 135.0 100.0 136.0 12.0 137.0 1.1 152.0 17.6 153.0 1.4 165.0 2.0 180.0 30.0 181.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O3 0.04 ml : 0.5 ml CDCl3 ethyl anisate 
Assign. Shift(ppm)
A 7.991 B 6.906 C 4.338 D 3.839 E 1.374
Hz ppm Int.723.31 8.077 23 720.56 8.046 231 718.44 8.022 65 713.69 7.969 68 711.50 7.945 266 708.75 7.914 29 625.25 6.982 25 622.56 6.952 228 620.38 6.927 60 615.63 6.874 53 613.50 6.851 181 399.63 4.463 57 392.38 4.382 219 385.25 4.302 230 378.25 4.224 70 343.81 3.839 1000 129.94 1.451 231 122.88 1.373 523 115.69 1.292 206
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
