3-CHLORO-4-HYDROXYBENZOIC ACID(3964-58-7) MS
Product Name3-CHLORO-4-HYDROXYBENZOIC ACID
CAS3964-58-7
Molecular FormulaC7H5ClO3
Molecular Weight172.57
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MassMS-NW-7896 3-chloro-4-hydroxybenzoic acid C7H5ClO3 1/2H2O (Mass of molecular ion: 172)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.5 27.0 1.0 28.0 2.5 29.0 1.2 31.0 1.3 37.0 2.9 38.0 3.3 39.0 4.3 45.0 2.2 49.0 1.8 49.5 2.8 50.0 2.2 51.0 3.4 52.0 1.6 53.0 5.5 55.0 1.0 61.0 3.8 62.0 7.2 63.0 15.4 64.0 4.0 65.0 1.0 72.0 5.1 73.0 7.2 74.0 1.9 75.0 2.3 77.5 2.0 80.0 1.0 81.0 1.1 87.0 1.0 91.0 7.0 92.0 2.0 99.0 11.8 100.0 1.1 101.0 4.1 115.0 1.6 119.0 1.6 126.0 1.7 127.0 15.9 128.0 1.7 129.0 5.3 144.0 1.1 155.0 100.0 156.0 8.0 157.0 32.3 158.0 2.8 172.0 75.6 173.0 6.5 174.0 25.0 175.0 2.1 189.0 1.2 206.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Cl O3 0.038 g : 0.5 ml DMSO-d6 3-chloro-4-hydroxybenzoic acid 
Assign. Shift(ppm)
A 11.2 B 7.889 C 7.783 D 7.078
Hz ppm Int.3154.31 7.893 963 3152.11 7.888 1000 3148.82 7.879 24 3116.03 7.797 499 3114.01 7.792 426 3107.60 7.776 512 3105.40 7.771 473 2836.88 7.099 35 2833.04 7.089 839 2829.92 7.081 32 2829.37 7.080 31 2824.61 7.068 827
in CDCl3
KBr disc
nujol mull
