4'-TERT-BUTYLPROPIOPHENONE(71209-71-7) IR1
Product Name4'-TERT-BUTYLPROPIOPHENONE
CAS71209-71-7
Molecular FormulaC13H18O
Molecular Weight190.28
InChIInChI=1S/C13H18O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChIKey AQNYEAINONORRY-UHFFFAOYSA-N
SmilesC(C1=CC=C(C(C)(C)C)C=C1)(=O)CC
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MassMS-IW-5646 4'-tert-butylpropiophenone C13H18O (Mass of molecular ion: 190)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.0 29.0 4.2 39.0 1.5 41.0 2.6 51.0 1.7 55.0 1.3 57.0 6.4 65.0 1.2 77.0 2.9 90.0 1.5 91.0 5.8 103.0 1.8 105.0 2.7 115.0 4.0 116.0 1.2 117.0 3.7 118.0 6.7 119.0 2.3 129.0 1.1 131.0 1.1 133.0 2.7 145.0 1.2 146.0 8.5 147.0 2.8 157.0 4.4 161.0 100.0 162.0 12.3 172.0 1.5 175.0 8.0 176.0 1.0 190.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H18 O 0.05 ml : 0.5 ml CDCl3 4'-tert-butylpropiophenone 
Assign. Shift(ppm)
A 7.910 B 7.464 C 2.969 D 1.331 E 1.213
Hz ppm Int.3167.72 7.927 33 3165.65 7.922 190 3163.57 7.916 67 3158.94 7.905 72 3156.86 7.900 198 3154.79 7.894 35 2989.26 7.480 39 2987.18 7.475 207 2985.11 7.470 70 2980.47 7.458 69 2978.39 7.453 183 2976.32 7.448 30 1197.88 2.998 73 1190.55 2.979 216 1183.35 2.961 224 1176.03 2.943 78 540.41 1.353 34 532.10 1.332 1000 491.82 1.231 240 484.62 1.213 415 477.29 1.195 225
in CDCl3
liquid film
