95%DISCONTINUED 10/25/01(73291-09-5) MS,IR2,MS,IR3,IR,1H NMR,Raman,ESR,13C NMR,Spectrum" /> 95%DISCONTINUED 10/25/01 MS spectrum,MS,73291-09-5" />
Product Name4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01
CAS73291-09-5
Molecular FormulaC8H7ClO
Molecular Weight154.59
InChIInChI=1S/C8H7ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2
InChIKey FNIFQOISPAAFQF-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(CCl)C=C1
Mass
MS-IW-4084 p-(chloromethyl)benzaldehyde C8H7ClO (Mass of molecular ion: 154)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.0 29.0 1.5 36.0 1.0 37.0 1.2 38.0 3.4 39.0 13.6 40.0 1.6 41.0 1.7 45.0 2.8 49.0 1.1 50.0 6.0 51.0 10.3 52.0 1.8 59.0 1.9 61.0 2.1 62.0 7.3 63.0 22.3 64.0 6.1 65.0 11.6 73.0 2.5 74.0 1.8 75.0 2.6 76.0 1.1 77.0 3.3 78.0 1.0 86.0 1.7 87.0 1.8 89.0 35.1 90.0 22.7 91.0 64.5 92.0 5.0 99.0 4.7 101.0 1.7 103.0 4.7 104.0 5.0 118.0 8.0 119.0 100.0 120.0 9.4 124.0 1.1 125.0 51.0 126.0 4.5 127.0 16.6 128.0 1.3 139.0 14.6 140.0 1.4 141.0 4.7 153.0 77.0 154.0 98.0 155.0 33.2 156.0 32.0 157.0 2.8 174.0 3.1 176.0 2.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H7 Cl O | 0.035 g : 0.5 ml CDCl3 |
p-(chloromethyl)benzaldehyde |
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Assign. Shift(ppm) |
Hz ppm Int.
4003.60 10.018 606 3152.01 7.887 69 3150.33 7.883 398 3148.35 7.878 149 3143.77 7.867 163 3141.94 7.862 457 3140.26 7.858 84 3022.61 7.564 349 3022.16 7.563 417 3020.63 7.559 133 3020.17 7.558 119 3016.05 7.547 117 3015.59 7.546 139 3014.22 7.543 360 1847.23 4.623 1000
in CDCl3
KBr disc
nujol mull
4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01(73291-09-5) MS Atlas of Related Products