METHYL 4-ACETOXYBENZOATE(24262-66-6) 13C NMR
Product NameMETHYL 4-ACETOXYBENZOATE
CAS24262-66-6
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3
InChIKey PGJQPLVEUVHSFQ-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(OC(C)=O)C=C1
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MassMS-IW-4114 methyl p-acetoxybenzoate C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.0 38.0 1.2 39.0 3.1 43.0 26.8 63.0 3.2 64.0 2.9 65.0 7.2 92.0 2.8 93.0 9.1 120.0 1.1 121.0 100.0 122.0 8.1 123.0 1.7 151.0 2.6 152.0 60.6 153.0 5.4 163.0 3.1 194.0 7.1 195.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 O4 0.040 g : 0.5 ml CDCl3 methyl p-acetoxybenzoate 
Assign. Shift(ppm)
A 8.071 B 7.172 C 3.908 D 2.313
Hz ppm Int.3232.79 8.090 31 3230.22 8.083 235 3228.15 8.078 79 3223.39 8.066 78 3221.31 8.061 266 3218.87 8.055 35 2873.29 7.190 33 2870.85 7.184 265 2868.77 7.179 75 2864.01 7.167 79 2861.94 7.162 232 2859.38 7.155 33 1561.89 3.909 929 927.86 2.322 22 924.68 2.314 1000
in CDCl3
KBr disc
nujol mull
