Product Name2,6-Difluorotoluene
CAS443-84-5
Molecular FormulaC7H6F2
Molecular Weight128.12
InChIInChI=1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey MZLSNIREOQCDED-UHFFFAOYSA-N
SmilesC1(F)=CC=CC(F)=C1C
Mass
MS-IW-7540 2,6-difluorotoluene C7H6F2 (Mass of molecular ion: 128)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 39.0 1.2 44.0 1.4 50.0 1.5 51.0 2.5 54.0 1.6 57.0 4.0 62.0 1.2 63.0 2.1 63.5 1.7 64.0 1.7 75.0 2.7 77.0 3.0 81.0 2.6 83.0 1.4 101.0 7.3 107.0 5.6 108.0 2.2 109.0 4.8 125.0 3.4 126.0 2.4 127.0 100.0 128.0 49.5 129.0 3.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H6 F2 | 0.05 ml : 0.5 ml CDCl3 |
2,6-difluorotoluene |
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Assign. Shift(ppm) |
Hz ppm Int.
2842.77 7.114 40 2842.16 7.112 40 2836.30 7.097 81 2835.69 7.096 88 2834.84 7.094 80 2834.11 7.092 90 2833.62 7.091 70 2829.83 7.081 55 2827.76 7.076 159 2825.56 7.071 65 2821.78 7.061 70 2821.17 7.060 93 2820.56 7.058 88 2819.58 7.056 110 2818.97 7.054 102 2813.11 7.039 51 2812.50 7.038 50 2732.79 6.838 36 2732.42 6.838 36 2726.81 6.823 236 2725.95 6.821 217 2718.99 6.804 332 2711.30 6.785 219 2710.94 6.784 223 870.24 2.178 551 868.41 2.173 1000 867.07 2.170 675 866.58 2.169 675
in CDCl3
liquid film
2,6-Difluorotoluene(443-84-5) IR1 Atlas of Related Products
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