4'-CHLOROBUTYROPHENONE(4981-63-9) IR1
Product Name4'-CHLOROBUTYROPHENONE
CAS4981-63-9
Molecular FormulaC10H11ClO
Molecular Weight182.65
InChIInChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChIKey XLCJPQYALLFIPW-UHFFFAOYSA-N
SmilesC(C1=CC=C(Cl)C=C1)(=O)CCC
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MassMS-KW-0175 4'-chlorobutyrophenone C10H11ClO (Mass of molecular ion: 182)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.7 39.0 1.8 41.0 2.3 43.0 2.6 50.0 4.3 51.0 3.1 55.0 1.5 63.0 1.1 74.0 2.1 75.0 12.7 76.0 3.3 77.0 1.5 85.0 1.2 111.0 28.6 112.0 2.7 113.0 9.4 114.0 1.0 128.0 1.3 129.0 1.8 139.0 100.0 140.0 7.7 141.0 32.4 142.0 2.5 147.0 20.3 148.0 2.2 154.0 9.6 156.0 3.1 164.0 1.2 167.0 1.4 182.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 Cl O 0.039 g : 0.5 ml CDCl3 4'-chlorobutyrophenone 
Assign. Shift(ppm)
A 7.897 B 7.421 C 2.914 D 1.762 E 1.002
Hz ppm Int.3162.96 7.915 73 3160.64 7.909 477 3158.57 7.904 169 3153.93 7.892 175 3151.86 7.887 509 3149.54 7.881 74 2973.75 7.441 85 2971.44 7.436 550 2969.36 7.430 182 2964.72 7.419 175 2962.65 7.414 500 2960.33 7.408 69 1172.36 2.934 326 1167.97 2.923 35 1165.16 2.916 489 1161.62 2.907 42 1157.71 2.897 357 722.78 1.809 42 715.33 1.790 182 707.89 1.772 320 705.44 1.766 31 700.56 1.753 305 693.24 1.735 179 685.91 1.717 47 407.59 1.020 532 400.27 1.002 1000 392.82 0.983 482
in CDCl3
KBr disk
Nujol
