ETHYL 3-IODOBENZOATE(58313-23-8) MS
Product NameETHYL 3-IODOBENZOATE
CAS58313-23-8
Molecular FormulaC9H9IO2
Molecular Weight276.07
InChIInChI=1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey POGCXCWRMMXDAQ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=CC(I)=C1
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MassMS-KW-0169 ethyl m-iodobenzoate C9H9IO2 (Mass of molecular ion: 276)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.3 27.0 4.9 28.0 3.7 29.0 8.5 38.0 1.0 39.0 1.7 45.0 5.1 50.0 20.1 51.0 3.4 65.0 8.7 74.0 6.4 75.0 9.2 76.0 44.1 77.0 7.0 93.0 1.3 103.0 3.0 104.0 5.5 105.0 2.8 115.5 1.3 121.0 7.1 127.0 2.2 128.0 2.5 131.0 1.8 149.0 6.8 203.0 30.9 204.0 2.6 231.0 100.0 232.0 11.9 248.0 44.7 249.0 3.6 258.0 1.9 261.0 1.1 276.0 59.9 277.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 I O2 0.05 ml : 0.5 ml CDCl3 ethyl m-iodobenzoate 
Assign. Shift(ppm)
A 8.367 B 7.997 C 7.860 D 7.168 E 4.372 F 1.390
Hz ppm Int.3345.70 8.372 209 3344.12 8.368 314 3342.65 8.364 175 3201.42 8.011 139 3200.32 8.008 163 3198.73 8.004 123 3193.60 7.991 143 3192.50 7.989 165 3192.14 7.988 161 3190.92 7.985 122 3146.61 7.874 141 3145.51 7.871 153 3144.78 7.869 143 3143.68 7.867 120 3138.79 7.854 145 3137.57 7.851 152 3136.96 7.850 152 3135.86 7.847 118 2872.07 7.187 163 2864.26 7.167 289 2856.45 7.148 141 1758.06 4.399 186 1750.98 4.382 526 1743.77 4.364 524 1736.69 4.346 186 562.62 1.408 554 555.54 1.391 1000 548.34 1.373 531
in CDCl3
Liquid film
