2-Chloro-5-nitrobenzaldehyde(6361-21-3) MS
Product Name2-Chloro-5-nitrobenzaldehyde
CAS6361-21-3
Molecular FormulaC7H4ClNO3
Molecular Weight185.56
InChIInChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey VFVHWCKUHAEDMY-UHFFFAOYSA-N
SmilesC(=O)C1=CC([N+]([O-])=O)=CC=C1Cl
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MassMS-NW-3550 2-chloro-5-nitrobenzaldehyde C7H4ClNO3 (Mass of molecular ion: 185)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 3.9 29.0 6.5 30.0 9.5 36.0 1.4 37.0 4.5 38.0 3.3 39.0 1.7 49.0 2.6 50.0 16.8 51.0 7.7 53.0 1.1 61.0 3.7 62.0 3.3 63.0 5.5 64.0 1.1 72.0 1.0 73.0 6.5 74.0 23.6 75.0 100.0 76.0 11.5 84.0 3.6 85.0 6.2 86.0 1.9 87.0 2.5 99.0 10.4 101.0 3.8 103.0 4.2 109.0 2.1 110.0 11.5 111.0 25.2 112.0 5.4 113.0 8.4 126.0 2.2 127.0 2.0 138.0 15.7 139.0 23.6 140.0 7.0 141.0 7.9 149.0 1.3 155.0 5.2 157.0 2.1 169.0 1.8 184.0 75.1 185.0 75.9 186.0 30.8 187.0 25.9 188.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl N O3 0.043 g : 0.5 ml CDCl3 2-chloro-5-nitrobenzaldehyde 
Assign. Shift(ppm)
A 10.497 B 8.736 C 8.387 D 7.709 J(B,C)=2.8HZ. J(C,D)=8.8HZ.
Hz ppm Int.940.21 10.499 1000 784.20 8.757 263 781.35 8.725 312 757.62 8.460 204 754.83 8.429 166 748.83 8.362 260 746.04 8.331 229 694.34 7.753 351 685.55 7.655 270
in CDCl3
KBr disc
nujol mull
