4-CHLOROMERCURIBENZOIC ACID(59-85-8) IR2
Product Name4-CHLOROMERCURIBENZOIC ACID
CAS59-85-8
Molecular FormulaC7H5ClHgO2
Molecular Weight357.16
InChIInChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
InChIKey YFZOUMNUDGGHIW-UHFFFAOYSA-M
SmilesC1(C(=O)O)C=CC([Hg]Cl)=CC=1
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MassMS-NW-2092 p-(chloromercurio)benzoic acid C7H5ClHgO2 (Mass of molecular ion: 358)
Source Temperature: 230 °C Sample Temperature: 230 °C Direct, 75 eV
18.0 3.1 27.0 1.1 28.0 2.7 35.0 2.0 36.0 17.4 37.0 1.7 38.0 5.7 39.0 6.4 44.0 3.9 45.0 1.4 49.0 1.3 50.0 17.1 51.0 9.3 53.0 1.5 63.0 1.0 65.0 24.5 66.0 1.4 73.0 1.7 74.0 7.6 75.0 12.0 76.0 20.4 77.0 6.8 78.0 1.2 93.0 2.1 103.0 1.9 104.0 100.0 105.0 12.9 111.0 6.4 113.0 2.0 121.0 6.4 122.0 5.7 139.0 1.5 198.0 1.9 199.0 3.4 200.0 4.6 201.0 2.6 202.0 5.7 204.0 1.4 354.0 3.4 355.0 5.8 356.0 9.2 357.0 6.7 358.0 12.5 359.0 2.4 360.0 5.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Cl Hg O2 0.055 g : 0.5 ml DMSO-d6 p-(chloromercurio)benzoic acid 
Assign. Shift(ppm)
A 7.867 B 7.602
Hz ppm Int.3148.93 7.880 829 3142.33 7.863 357 3140.63 7.859 1000 3042.48 7.613 936 3034.18 7.593 869
KBr disc
nujol mull
