4-tert-Butyl-2-nitrophenol(3279-07-0) 13C NMR
Product Name4-tert-Butyl-2-nitrophenol
CAS3279-07-0
Molecular FormulaC10H13NO3
Molecular Weight195.22
InChIInChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3
InChIKey IHGNADPMUSNTJW-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C)(C)C)C=C1[N+]([O-])=O
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MassMS-IW-9052 4-tert-butyl-2-nitrophenol C10H13NO3 (Mass of molecular ion: 195)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.4 28.0 1.1 29.0 2.0 39.0 4.6 41.0 5.0 43.0 1.1 51.0 3.1 52.0 1.0 53.0 3.3 55.0 1.7 57.0 1.2 63.0 2.3 65.0 3.2 77.0 6.2 78.0 1.9 79.0 4.1 89.0 1.4 90.0 1.0 91.0 3.5 103.0 1.9 104.0 1.1 105.0 3.7 106.0 2.3 107.0 1.2 119.0 2.2 122.0 1.9 132.0 1.1 133.0 4.4 134.0 17.8 135.0 2.4 152.0 10.3 163.0 1.1 164.0 1.2 180.0 100.0 181.0 10.5 182.0 1.1 195.0 13.8 196.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 N O3 0.05 ml : 0.5 ml CDCl3 4-tert-butyl-2-nitrophenol 
Assign. Shift(ppm)
A 10.5 B 8.067 C 7.647 D 7.090 E 1.328
Hz ppm Int.4183.80 10.469 235 3225.25 8.071 120 3222.66 8.064 118 3061.83 7.662 62 3059.39 7.656 59 3053.13 7.640 67 3050.69 7.634 63 2839.66 7.106 128 2830.81 7.084 122 530.70 1.328 1000
in CDCl3
liquid film
