Product Name4-Fluoro-2-methylphenol
CAS452-72-2
Molecular FormulaC7H7FO
Molecular Weight126.13
InChIInChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey GKQDDKKGDIVDAG-UHFFFAOYSA-N
SmilesC1(O)=CC=C(F)C=C1C
Mass
MS-KW-0178 4-fluoro-o-cresol C7H7FO (Mass of molecular ion: 126)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.8 28.0 1.6 31.0 1.4 38.0 2.1 39.0 4.9 44.0 1.1 50.0 4.1 51.0 9.0 52.0 2.0 53.0 3.1 57.0 4.9 62.0 1.6 62.5 2.1 63.0 5.7 68.0 1.1 69.0 1.9 70.0 3.8 71.0 1.6 74.0 1.5 75.0 3.4 77.0 11.4 78.0 3.5 79.0 1.2 81.0 1.7 83.0 2.4 84.0 1.4 95.0 7.8 96.0 6.4 97.0 26.5 98.0 4.9 105.0 3.1 107.0 12.4 108.0 18.0 109.0 8.5 123.0 1.0 125.0 73.7 126.0 100.0 127.0 7.6
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H7 F O | 0.036 g : 0.5 ml CDCl3 |
4-fluoro-o-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
2735.72 6.846 81 2732.91 6.839 94 2726.68 6.823 80 2723.75 6.816 92 2709.59 6.780 45 2709.23 6.780 45 2706.54 6.773 37 2706.18 6.772 36 2701.05 6.759 109 2700.44 6.758 92 2698.00 6.751 89 2697.39 6.750 76 2692.87 6.739 76 2692.38 6.737 75 2689.82 6.731 66 2689.33 6.730 64 2677.61 6.700 162 2672.85 6.688 165 2668.82 6.678 93 2664.06 6.666 86 1903.93 4.764 473 887.70 2.222 1000
in CDCl3
KBr disk
Nujol
4-Fluoro-2-methylphenol(452-72-2) 13C NMR Atlas of Related Products
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