2-Chlorobenzaldehyde (89-98-5) IR2
Product Name2-Chlorobenzaldehyde
CAS89-98-5
Molecular FormulaC7H5ClO
Molecular Weight140.57
InChIInChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey FPYUJUBAXZAQNL-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC=C1Cl
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MassMS-NW-0863 o-chlorobenzaldehyde C7H5ClO (Mass of molecular ion: 140)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.8 28.0 1.9 29.0 3.2 36.0 1.0 37.0 3.9 37.5 1.1 38.0 4.8 39.0 2.3 49.0 3.3 50.0 24.5 51.0 16.1 52.0 2.2 60.0 1.2 61.0 2.4 62.0 1.7 63.0 1.5 73.0 3.6 74.0 12.1 75.0 24.9 76.0 21.7 77.0 21.0 78.0 1.4 84.0 2.0 85.0 3.5 86.0 1.2 87.0 1.3 104.0 3.6 111.0 41.8 112.0 9.2 113.0 14.1 114.0 2.9 128.0 1.3 139.0 100.0 140.0 75.6 141.0 38.1 142.0 24.7 143.0 1.9
parameter in CDCl3
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1H NMR 300 MHz C7 H5 Cl O 10 wt% in CCl4 o-chlorobenzaldehyde 
Parameter ppm Hz
D(A) 7.40 D(B) 7.47 D(C) 7.34 D(D) 7.86 D(E) 10.42 J(A,B) 8.03 J(A,C) 1.15 J(A,D) 0.53 J(A,E) 0.78 J(B,C) 7.31 J(B,D) 1.74 J(B,E) 0.0 J(C,D) 7.70 J(C,E) 0.78 J(D,E) 0.0 SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972) THE VALUES OF J(A,E) AND J(C,E) ARE OBTAINED FROM : CONTRERAS,R.H. ET AL. ORG.MAGN.RESON. 12, 542 (1979)
Hz ppm Int.3126.00 10.420 1000 2363.02 7.877 276 2362.56 7.875 288 2361.31 7.871 294 2360.84 7.869 285 2355.41 7.851 304 2354.94 7.850 316 2353.67 7.846 323 2353.20 7.844 313 2250.50 7.502 125 2248.73 7.496 125 2243.44 7.478 199 2242.48 7.475 281 2241.72 7.472 223 2240.74 7.469 266 2235.45 7.451 371 2233.71 7.446 354 2228.74 7.429 14 2223.94 7.413 352 2223.28 7.411 439 2222.61 7.409 447 2215.96 7.387 203 2215.32 7.384 207 2214.62 7.382 177 2209.94 7.366 191 2209.19 7.364 214 2208.58 7.362 188 2207.82 7.359 158 2202.24 7.341 290 2201.54 7.338 314 2200.91 7.336 275 2195.30 7.318 114 2194.54 7.315 130 2193.90 7.313 124 2193.15 7.310 105
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
