4'-Bromopropiophenone(10342-83-3) IR2
Product Name4'-Bromopropiophenone
CAS10342-83-3
Molecular FormulaC9H9BrO
Molecular Weight213.07
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey UOMOSYFPKGQIKI-UHFFFAOYSA-N
SmilesC(C1=CC=C(Br)C=C1)(=O)CC
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MassMS-NW-9279 4'-bromopropiophenone C9H9BrO (Mass of molecular ion: 212)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.0 28.0 1.2 29.0 5.2 38.0 1.8 50.0 11.9 51.0 3.8 57.0 2.4 74.0 5.1 75.0 16.9 76.0 17.6 77.0 3.2 104.0 2.2 155.0 28.8 156.0 2.2 157.0 27.8 158.0 1.9 183.0 100.0 184.0 7.8 185.0 97.5 186.0 7.4 212.0 11.8 213.0 1.3 214.0 11.7 215.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 Br O 0.042 g : 0.5 ml CDCl3 4'-bromopropiophenone 
Assign. Shift(ppm)
A 7.803 B 7.587 C 2.951 D 1.216
Hz ppm Int.
706.75 7.892 37 704.75 7.870 294 702.63 7.846 112 698.06 7.795 147 695.94 7.771 620 693.94 7.749 112 684.25 7.641 117 682.31 7.619 659 680.13 7.595 160 675.56 7.544 110 673.94 7.526 197 673.44 7.520 302 671.50 7.498 35 275.81 3.080 104 268.31 2.996 405 261.06 2.915 439 254.19 2.839 139 115.63 1.292 491 108.56 1.213 1000 101.25 1.131 388
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1H NMR 399.65 MHz C9 H9 Br O 0.040 g : 0.5 ml CDCl3 4'-bromopropiophenone Assign. Shift(ppm)
A 7.825 B 7.596 C 2.970 D 1.219
Hz ppm Int.
3134.64 7.844 64 3132.32 7.838 407 3130.25 7.833 138 3125.61 7.821 160 3123.54 7.816 478 3121.22 7.810 66 3041.63 7.611 86 3039.43 7.606 516 3037.35 7.601 156 3032.71 7.589 149 3030.64 7.584 410 3028.32 7.578 52 1197.88 2.998 151 1190.67 2.980 480 1183.47 2.962 495 1176.27 2.944 168 494.26 1.237 529 487.06 1.219 1000 484.62 1.213 38 479.86 1.201 506
in CDCl3
KBr disk
liquid film
nujol mull
