2,3,5-Trichlorobenzaldehyde(56961-75-2) 13C NMR
Product Name2,3,5-Trichlorobenzaldehyde
CAS56961-75-2
Molecular FormulaC7H3Cl3O
Molecular Weight209.46
InChIInChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
InChIKey DJYRZTCLVDKWBL-UHFFFAOYSA-N
SmilesC(=O)C1=CC(Cl)=CC(Cl)=C1Cl
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MassMS-IW-0569 2,3,5-trichlorobenzaldehyde C7H3Cl3O (Mass of molecular ion: 208)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.0 29.0 4.4 36.0 2.5 37.0 3.8 38.0 1.9 49.0 2.5 50.0 4.5 54.0 1.4 60.0 1.0 61.0 2.4 62.0 1.2 71.5 1.6 72.0 3.5 72.5 1.2 73.0 10.6 74.0 28.6 75.0 7.9 84.0 9.8 85.0 3.6 86.0 3.9 87.0 1.5 104.5 1.0 107.0 1.2 108.0 8.6 109.0 28.9 110.0 6.3 111.0 9.5 112.0 1.1 119.0 1.1 143.0 8.1 144.0 17.3 145.0 17.1 146.0 11.9 147.0 8.6 148.0 2.3 149.0 1.3 172.0 3.3 174.0 2.2 179.0 22.9 180.0 9.3 181.0 22.7 182.0 9.0 183.0 7.6 184.0 2.9 207.0 98.7 208.0 68.9 209.0 100.0 210.0 66.4 211.0 35.3 212.0 21.6 213.0 5.0 214.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H3 Cl3 O 0.063 g : 0.5 ml CDCl3 2,3,5-trichlorobenzaldehyde 
Assign. Shift(ppm)
A 10.413 B 7.791 C 7.693
Hz ppm Int.932.67 10.414 1000 930.03 10.385 28 701.37 7.832 34 699.46 7.810 393 696.90 7.782 649 695.29 7.764 42 695.00 7.761 41 693.97 7.749 36 693.31 7.742 33 692.21 7.730 47 691.92 7.726 49 689.94 7.704 658 687.38 7.676 377 686.06 7.661 36 685.77 7.658 35
in CDCl3
KBr disc
nujol mull
