1-(4-Hydroxyphenyl)-1-butanone(1009-11-6) IR2
Product Name1-(4-Hydroxyphenyl)-1-butanone
CAS1009-11-6
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3
InChIKey GFBLPULLSAPXDC-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C=C1)(=O)CCC
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MassMS-IW-0506 4'-hydroxybutyrophenone C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
39.0 3.2 65.0 6.9 93.0 12.8 94.0 1.3 121.0 100.0 122.0 7.9 136.0 9.5 146.0 1.2 149.0 1.4 163.0 1.9 164.0 25.0 165.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O2 0.042 g : 0.5 ml CDCl3 4'-hydroxybutyrophenone 
Assign. Shift(ppm)
A 7.927 B 6.984 C 2.936 D 1.767 E 0.996
Hz ppm Int.3175.42 7.946 63 3172.61 7.939 467 3170.53 7.934 147 3168.46 7.929 33 3165.77 7.922 153 3163.70 7.917 489 3160.89 7.910 61 2798.46 7.003 67 2795.78 6.996 503 2793.70 6.991 151 2788.94 6.979 150 2786.87 6.974 483 2784.06 6.967 58 1180.91 2.955 290 1176.15 2.943 56 1173.58 2.937 407 1170.53 2.929 60 1166.14 2.918 309 725.71 1.816 38 718.26 1.798 161 710.82 1.779 283 703.37 1.760 282 696.04 1.742 164 688.60 1.724 41 405.64 1.015 524 403.08 1.009 39 398.32 0.997 1000 390.87 0.979 478
in CDCl3
KBr disc
nujol mull
