2-Chloro-4-nitrobenzoic acid(99-60-5) 1H NMR
Product Name2-Chloro-4-nitrobenzoic acid
CAS99-60-5
Molecular FormulaC7H4ClNO4
Molecular Weight201.56
InChIInChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey QAYNSPOKTRVZRC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C([N+]([O-])=O)C=C1Cl
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MassMS-NW-4777 2-chloro-4-nitrobenzoic acid C7H4ClNO4 (Mass of molecular ion: 201)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.6 28.0 4.0 30.0 22.5 36.0 1.2 37.0 4.2 38.0 3.2 39.0 3.6 45.0 4.9 46.0 1.1 49.0 1.9 50.0 10.0 51.0 7.7 53.0 6.1 61.0 2.6 62.0 3.3 63.0 14.8 64.0 4.2 65.0 2.1 73.0 12.2 74.0 22.3 75.0 35.2 76.0 4.3 79.0 2.0 84.0 3.8 85.0 2.9 86.0 1.5 87.0 3.3 89.0 1.0 91.0 17.1 92.0 5.3 99.0 52.3 100.0 3.3 101.0 17.2 102.0 1.1 107.0 4.4 108.0 1.2 109.0 6.5 110.0 7.8 111.0 3.4 112.0 2.6 115.0 6.5 117.0 2.1 119.0 5.2 120.0 1.3 121.0 1.2 126.0 3.9 128.0 1.3 137.0 5.1 138.0 6.6 139.0 2.3 140.0 2.1 143.0 15.3 144.0 1.2 145.0 5.3 154.0 1.0 155.0 33.3 156.0 3.0 157.0 11.4 158.0 1.0 167.0 2.2 171.0 1.5 173.0 1.3 184.0 6.5 185.0 1.4 186.0 2.2 201.0 100.0 202.0 8.6 203.0 33.1 204.0 2.8 235.0 1.4
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
