2,3,6-TRICHLOROBENZALDEHYDE(4659-47-6) IR1
Product Name2,3,6-TRICHLOROBENZALDEHYDE
CAS4659-47-6
Molecular FormulaC7H3Cl3O
Molecular Weight209.46
InChIInChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
InChIKey AURSMWWOMOVHBM-UHFFFAOYSA-N
SmilesC(=O)C1=C(Cl)C=CC(Cl)=C1Cl
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MassMS-NW-9398 2,3,6-trichlorobenzaldehyde C7H3Cl3O (Mass of molecular ion: 208)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.2 28.0 1.3 29.0 5.2 36.0 3.8 37.0 5.5 38.0 2.3 47.0 1.2 49.0 3.5 50.0 5.0 54.0 2.7 54.5 1.2 55.0 1.2 60.0 2.0 61.0 3.5 62.0 1.5 71.5 2.2 72.0 4.6 72.5 1.5 73.0 11.5 74.0 29.7 75.0 8.2 83.0 1.1 84.0 10.9 85.0 4.2 86.0 4.8 87.0 1.9 90.0 1.6 91.0 1.5 97.0 1.2 103.5 1.5 104.5 1.3 107.0 1.4 108.0 9.4 109.0 30.9 110.0 6.8 111.0 10.0 112.0 1.2 118.0 2.6 119.0 1.3 120.0 2.1 121.0 1.0 143.0 8.3 144.0 20.5 145.0 18.6 146.0 14.0 147.0 9.7 148.0 2.7 149.0 1.4 172.0 3.4 174.0 2.3 179.0 19.9 180.0 11.1 181.0 19.9 182.0 10.5 183.0 6.7 184.0 3.4 207.0 99.4 208.0 62.0 209.0 100.0 210.0 60.0 211.0 35.1 212.0 19.6 213.0 4.8 214.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H3 Cl3 O 0.054 g : 0.5 ml CDCl3 2,3,6-trichlorobenzaldehyde 
Assign. Shift(ppm)
A 10.426 B 7.564 C 7.353
Hz ppm Int.4167.02 10.427 892 4166.56 10.426 884 3027.80 7.577 792 3019.10 7.555 1000 2943.12 7.365 675 2942.66 7.364 714 2940.06 7.357 34 2934.42 7.343 593 2933.96 7.342 603
KBr disc
nujol mull
