5-Chloro-2-methoxybenzoic acid(3438-16-2) MS
Product Name5-Chloro-2-methoxybenzoic acid
CAS3438-16-2
Molecular FormulaC8H7ClO3
Molecular Weight186.59
InChIInChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey HULDRQRKKXRXBI-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Cl)=CC=C1OC
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MassMS-KW-0172 5-chloro-2-methoxybenzoic acid C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.8 18.0 3.4 28.0 4.9 29.0 2.0 31.0 2.9 36.0 2.1 37.0 3.7 38.0 4.7 39.0 4.0 44.0 1.3 45.0 3.9 47.0 1.7 49.0 2.3 50.0 9.2 51.0 12.9 52.0 2.1 53.0 5.9 55.0 1.3 60.0 1.0 61.0 5.7 62.0 10.3 63.0 32.2 64.0 3.7 65.0 2.1 72.0 2.1 73.0 11.0 74.0 9.7 75.0 21.0 76.0 4.7 77.0 37.2 78.0 3.3 79.0 5.8 80.0 1.1 84.0 1.4 85.0 1.6 87.0 3.1 89.0 2.2 91.0 2.5 92.0 1.3 93.0 1.4 97.0 1.9 98.0 9.6 99.0 17.8 100.0 4.0 101.0 5.9 105.0 2.3 107.0 1.7 108.0 2.3 110.0 6.3 111.0 23.6 112.0 6.9 113.0 35.0 114.0 3.6 115.0 22.0 116.0 1.5 117.0 4.7 124.0 1.0 126.0 26.5 127.0 12.8 128.0 10.7 129.0 4.2 133.0 11.7 134.0 1.5 136.0 1.1 138.0 2.5 139.0 88.3 140.0 17.5 141.0 36.1 142.0 6.9 143.0 7.1 145.0 1.6 151.0 1.5 154.0 13.9 155.0 6.3 156.0 9.5 157.0 64.7 158.0 6.9 159.0 20.8 160.0 1.6 167.0 12.9 168.0 8.6 169.0 33.5 170.0 5.7 171.0 12.3 172.0 1.2 186.0 100.0 187.0 9.2 188.0 32.4 189.0 3.2 200.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 Cl O3 0.036 g : 0.5 ml CDCl3 5-chloro-2-methoxybenzoic acid 
Assign. Shift(ppm)
A 10.6 B 8.081 C 7.515 D 7.027 E 4.069
Hz ppm Int.3231.05 8.085 213 3228.30 8.078 208 3009.64 7.531 130 3006.90 7.524 128 3000.79 7.509 144 2998.05 7.502 141 2812.65 7.038 181 2803.80 7.016 164 1626.28 4.070 1000
in CDCl3
Nujol
