4-tert-Butoxystyrene(95418-58-9) 1H NMR
Product Name4-tert-Butoxystyrene
CAS95418-58-9
Molecular FormulaC12H16O
Molecular Weight176.25
InChIInChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKey GRFNSWBVXHLTCI-UHFFFAOYSA-N
SmilesC1(OC(C)(C)C)=CC=C(C=C)C=C1
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MassMS-IW-2634 4-tert-butoxystyrene C12H16O (Mass of molecular ion: 176)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.6 29.0 4.0 39.0 5.3 41.0 6.0 51.0 2.1 55.0 1.1 57.0 6.4 63.0 1.9 65.0 5.6 77.0 3.4 80.5 1.1 91.0 10.8 92.0 1.4 94.0 1.9 103.0 1.3 119.0 7.8 120.0 100.0 121.0 9.6 161.0 3.0 176.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H16 O 0.05 ml : 0.5 ml CDCl3 4-tert-butoxystyrene 
Assign. Shift(ppm)
A 7.294 B 6.933 C 6.655 D 5.628 E 5.141 F 1.325 J(C,D)=17.6HZ J(C,E)=11.0HZ J(D,E)=1.0HZ
Hz ppm Int.2922.00 7.312 34 2919.31 7.305 184 2917.24 7.300 65 2912.72 7.289 75 2910.77 7.284 195 2777.34 6.950 40 2774.66 6.943 218 2772.46 6.938 74 2767.94 6.926 74 2765.87 6.921 190 2674.32 6.692 56 2663.33 6.665 59 2656.62 6.648 62 2645.75 6.621 62 2258.30 5.651 109 2257.32 5.649 115 2240.60 5.607 101 2239.75 5.605 105 2060.55 5.156 106 2059.69 5.154 108 2049.68 5.129 101 2048.83 5.127 106 529.66 1.326 1000
in CDCl3
liquid film
