5-Chloro-2-nitrobenzaldehyde(6628-86-0) IR3
Product Name5-Chloro-2-nitrobenzaldehyde
CAS6628-86-0
Molecular FormulaC7H4ClNO3
Molecular Weight185.56
InChIInChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey SWGPIDCNYAYXMJ-UHFFFAOYSA-N
SmilesC(=O)C1=CC(Cl)=CC=C1[N+]([O-])=O
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MassMS-NW-0209 5-chloro-2-nitrobenzaldehyde C7H4ClNO3 (Mass of molecular ion: 185)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 1.1 29.0 5.9 30.0 10.7 37.0 5.6 38.0 5.2 39.0 4.2 49.0 3.3 50.0 29.0 51.0 12.5 52.0 1.4 53.0 3.4 60.0 1.5 61.0 4.9 62.0 4.9 63.0 14.8 64.0 2.8 72.0 1.1 73.0 23.7 74.0 34.9 75.0 86.5 76.0 13.8 77.0 1.8 78.0 10.0 84.0 5.6 85.0 8.9 86.0 2.5 87.0 3.1 88.0 1.0 90.0 2.0 91.0 1.3 92.0 1.3 98.0 2.3 99.0 88.0 100.0 5.5 101.0 28.0 102.0 1.7 109.0 2.5 110.0 38.4 111.0 16.5 112.0 14.5 113.0 7.3 124.0 1.4 125.0 1.6 126.0 2.3 127.0 85.6 128.0 6.7 129.0 28.6 130.0 1.8 138.0 29.0 139.0 2.7 140.0 9.6 141.0 3.3 155.0 100.0 156.0 8.0 157.0 32.0 158.0 2.5 168.0 3.1 170.0 1.0 185.0 9.7 186.0 1.3 187.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl N O3 0.047 g : 0.5 ml CDCl3 5-chloro-2-nitrobenzaldehyde 
Assign. Shift(ppm)
A 10.412 B 8.113 C 7.890 D 7.726 J(B,D)=8.6HZ. J(C,D)=2.4HZ.
Hz ppm Int.932.59 10.414 1000 732.13 8.175 201 723.49 8.079 322 708.25 7.909 270 707.89 7.905 294 705.91 7.882 406 705.54 7.878 347 696.39 7.776 355 693.97 7.749 247 687.74 7.680 217 685.40 7.653 172
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
