5-Chloro-2-nitrobenzoic acid(2516-95-2) MS
Product Name5-Chloro-2-nitrobenzoic acid
CAS2516-95-2
Molecular FormulaC7H4ClNO4
Molecular Weight201.56
InChIInChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey ZKUYSJHXBFFGPU-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Cl)=CC=C1[N+]([O-])=O
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MassMS-NW-0213 5-chloro-2-nitrobenzoic acid C7H4ClNO4 (Mass of molecular ion: 201)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 2.8 28.0 1.5 30.0 36.5 37.0 6.6 38.0 5.9 39.0 6.9 44.0 5.1 45.0 7.5 46.0 1.9 49.0 3.9 50.0 26.1 51.0 11.5 52.0 1.5 53.0 7.3 60.0 1.3 61.0 4.4 62.0 6.6 63.0 26.8 64.0 4.9 66.0 1.2 72.0 1.7 73.0 30.7 74.0 37.6 75.0 55.3 76.0 10.2 77.0 2.0 78.0 1.0 79.0 1.4 84.0 6.1 85.0 5.2 86.0 2.4 87.0 3.8 89.0 1.1 90.0 1.4 91.0 4.7 92.0 2.7 93.0 2.2 97.0 1.2 98.0 3.2 99.0 89.4 100.0 5.9 101.0 28.7 102.0 1.8 107.0 1.8 108.0 1.4 109.0 3.3 110.0 14.4 111.0 20.7 112.0 7.3 113.0 7.3 114.0 1.0 115.0 15.2 117.0 5.0 125.0 2.9 126.0 4.7 127.0 80.2 128.0 6.9 129.0 27.9 130.0 1.8 138.0 1.2 140.0 1.3 143.0 12.7 144.0 1.1 145.0 4.4 153.0 4.5 155.0 11.0 156.0 1.2 157.0 22.1 158.0 1.6 159.0 6.3 171.0 32.9 172.0 2.8 173.0 11.0 174.0 1.0 184.0 2.6 185.0 2.8 187.0 1.1 201.0 100.0 202.0 9.0 203.0 32.9 204.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl N O4 0.048 g : 0.5 ml CDCl3 5-chloro-2-nitrobenzoic acid 
Assign. Shift(ppm)
A 10.51 B 7.88 C 7.84 D 7.67
Hz ppm Int.941.05 10.508 342 711.62 7.946 320 711.19 7.941 314 703.08 7.851 1000 702.65 7.846 935 701.28 7.831 865 698.97 7.805 42 690.34 7.709 753 688.04 7.683 515 681.80 7.613 323 679.49 7.587 285 678.04 7.571 39 677.53 7.566 28
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
