4-Chlorobenzaldehyde(104-88-1) 1H NMR
Product Name4-Chlorobenzaldehyde
CAS104-88-1
Molecular FormulaC7H5ClO
Molecular Weight140.57
InChIInChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey AVPYQKSLYISFPO-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(Cl)C=C1
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MassMS-NW-1836 p-chlorobenzaldehyde C7H5ClO (Mass of molecular ion: 140)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.8 27.0 3.7 28.0 1.0 29.0 8.1 36.0 1.8 37.0 9.9 37.5 1.8 38.0 10.8 39.0 4.2 48.0 1.0 49.0 7.4 50.0 53.5 51.0 36.5 52.0 4.5 53.0 1.6 60.0 1.7 61.0 5.2 62.0 3.7 63.0 2.9 72.0 1.4 73.0 9.1 74.0 29.8 75.0 52.2 76.0 16.6 77.0 31.8 78.0 2.1 84.0 3.3 85.0 6.9 86.0 2.2 87.0 2.4 104.0 2.0 110.0 1.2 111.0 64.9 112.0 13.9 113.0 21.4 114.0 4.1 139.0 100.0 140.0 73.2 141.0 37.2 142.0 23.4 143.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 Cl O 0.045 g : 0.5 ml CDCl3 p-chlorobenzaldehyde 
Assign. Shift(ppm)
A 9.99 B 7.82 C 7.52
Hz ppm Int.894.69 9.990 565 894.25 9.985 901 893.81 9.981 465 707.81 7.904 86 705.75 7.881 626 705.25 7.875 390 703.75 7.858 272 699.19 7.807 350 697.44 7.788 745 697.00 7.783 1000 695.13 7.762 214 679.00 7.582 122 678.56 7.577 143 676.69 7.556 877 674.94 7.537 258 674.50 7.532 249 673.88 7.525 60 670.38 7.486 187 669.94 7.481 185 668.88 7.469 299 668.31 7.463 489 667.88 7.458 391 666.31 7.440 78 665.88 7.436 66
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
