4-Chloro-4'-fluorobutyrophenone(3874-54-2) Raman
Product Name4-Chloro-4'-fluorobutyrophenone
CAS3874-54-2
Molecular FormulaC10H10ClFO
Molecular Weight200.64
InChIInChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChIKey HXAOUYGZEOZTJO-UHFFFAOYSA-N
SmilesC(C1=CC=C(F)C=C1)(=O)CCCCl
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MassMS-IW-4773 4-chloro-4'-fluorobutyrophenone C10H10ClFO (Mass of molecular ion: 200)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
36.0 1.7 39.0 1.5 41.0 1.5 50.0 1.2 51.0 1.0 69.0 1.6 75.0 6.9 94.0 1.5 95.0 29.4 96.0 2.8 109.0 1.2 123.0 100.0 124.0 7.7 133.0 3.4 134.0 1.0 135.0 1.4 138.0 33.3 139.0 2.9 163.0 2.8 164.0 7.7 165.0 1.0 200.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 Cl F O 0.05 ml : 0.5 ml CDCl3 4-chloro-4'-fluorobutyrophenone 
Assign. Shift(ppm)
A 8.003 B 7.131 C 3.674 D 3.150 E 2.219
Hz ppm Int.3208.74 8.029 69 3205.81 8.022 494 3203.74 8.017 194 3200.44 8.009 526 3198.97 8.005 253 3198.36 8.003 251 3196.90 8.000 523 3193.60 7.991 205 3191.41 7.986 494 3188.60 7.979 74 2861.57 7.161 78 2858.76 7.154 541 2856.57 7.148 174 2853.15 7.140 115 2851.81 7.136 230 2850.34 7.133 756 2848.27 7.127 211 2846.92 7.124 112 2843.51 7.116 182 2841.43 7.110 489 2838.50 7.103 74 1474.61 3.690 637 1472.29 3.684 86 1468.51 3.675 973 1464.36 3.665 91 1462.16 3.659 663 1266.24 3.169 564 1259.28 3.151 1000 1252.32 3.134 614 898.80 2.249 178 896.61 2.244 36 892.33 2.233 397 891.97 2.232 396 889.77 2.227 75 885.62 2.216 592 881.59 2.206 71 879.27 2.201 409 874.39 2.188 34 872.44 2.184 157
in CDCl3
liquid film
