3,5-Dichlorobenzaldehyde(10203-08-4) MS
Product Name3,5-Dichlorobenzaldehyde
CAS10203-08-4
Molecular FormulaC7H4Cl2O
Molecular Weight175.01
InChIInChI=1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey CASRSOJWLARCRX-UHFFFAOYSA-N
SmilesC(=O)C1=CC(Cl)=CC(Cl)=C1
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MassMS-NW-6387 3,5-dichlorobenzaldehyde C7H4Cl2O (Mass of molecular ion: 174)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.7 28.0 1.5 29.0 5.5 35.0 1.0 36.0 2.5 37.0 5.1 38.0 2.8 49.0 3.2 50.0 13.4 51.0 4.6 54.5 1.2 55.0 1.4 60.0 1.4 61.0 2.8 62.0 1.6 63.0 1.1 72.0 1.3 73.0 6.8 74.0 23.3 75.0 32.6 76.0 3.2 84.0 4.5 85.0 4.9 86.0 2.1 87.0 1.9 108.0 1.3 109.0 14.2 110.0 7.6 111.0 21.8 112.0 3.7 113.0 6.0 145.0 36.1 146.0 9.7 147.0 23.0 148.0 6.6 149.0 4.1 150.0 1.1 173.0 100.0 174.0 78.5 175.0 70.2 176.0 50.1 177.0 14.5 178.0 8.3
400 MHz in CDCl3
90 MHz in CDCl3
parameter in CS2
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1H NMR 399.65 MHz C7 H4 Cl2 O 0.046 g : 0.5 ml CDCl3 3,5-dichlorobenzaldehyde 
Assign. Shift(ppm)
A 9.933 B 7.747 C 7.604 J(B,C)=2.0HZ.
Hz ppm Int.3969.77 9.934 820 3099.18 7.755 33 3098.63 7.754 29 3096.61 7.749 1000 3094.60 7.744 831 3092.03 7.737 21 3041.11 7.610 248 3039.10 7.605 291 3037.27 7.600 200
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1H NMR 89.56 MHz C7 H4 Cl2 O 0.041 g : 0.5 ml CDCl3 3,5-dichlorobenzaldehyde Assign. Shift(ppm)
A 9.928 B 7.737 C 7.602 J(B,C)=1.92HZ.
Hz ppm Int.889.13 9.928 877 696.63 7.779 26 696.19 7.774 28 694.13 7.751 696 692.19 7.729 1000 689.63 7.701 33 684.25 7.641 28 682.38 7.620 335 680.38 7.597 318 678.56 7.577 187
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1H NMR 300 MHz C7 H4 Cl2 O 15 mol% in CS2 3,5-dichlorobenzaldehyde Parameter ppm Hz
D(A) 7.660 D(B) 7.489 D(C) 9.883 J(A,B) 1.93 J(A,C) 0.10 J(B,C) 0.0 BELL,C.L. ET AL. CAN.J.CHEM. 47, 3529 (1969)
Hz ppm Int.2964.91 9.883 918 2298.99 7.663 933 2297.07 7.657 1000 2248.59 7.495 276 2246.69 7.489 485 2244.76 7.483 240
in CDCl3
KBr disc
