3-Methylanisole(100-84-5) 1H NMR
Product Name3-Methylanisole
CAS100-84-5
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKey OSIGJGFTADMDOB-UHFFFAOYSA-N
SmilesC1(OC)=CC=CC(C)=C1
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MassMS-NW-0889 m-methoxytoluene C8H10O (Mass of molecular ion: 122)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.3 26.0 1.0 27.0 6.6 28.0 2.1 37.0 1.3 38.0 4.1 39.0 18.6 40.0 1.5 41.0 2.1 50.0 6.4 51.0 12.9 52.0 6.8 53.0 7.3 61.0 1.5 62.0 2.8 63.0 7.4 64.0 2.3 65.0 9.5 74.0 1.2 77.0 35.8 78.0 9.1 79.0 31.3 80.0 2.0 89.0 2.8 90.0 2.1 91.0 50.3 92.0 23.7 93.0 6.9 107.0 20.8 108.0 1.7 121.0 15.2 122.0 100.0 123.0 8.8
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O 0.05 ml : 0.5 ml CDCl3 m-methoxytoluene 
Assign. Shift(ppm)
A 7.138 B 6.738 C 6.699 D 6.69 E 3.731 F 2.302
Hz ppm Int.2860.96 7.159 82 2853.15 7.140 159 2845.34 7.120 98 2697.75 6.751 85 2697.02 6.749 106 2696.29 6.747 103 2695.56 6.745 79 2691.16 6.734 50 2690.31 6.732 77 2689.58 6.730 100 2688.84 6.728 101 2688.11 6.727 77 2682.13 6.712 75 2681.27 6.710 86 2679.44 6.705 155 2678.71 6.703 156 2677.86 6.701 165 2677.25 6.699 170 2668.58 6.678 86 2666.26 6.672 66 1491.21 3.732 1000 920.29 2.303 647
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1H NMR 89.56 MHz C8 H10 O 0.05 ml : 0.5 ml CDCl3 m-methoxytoluene Assign. Shift(ppm)
A 7.12 B 6.82 to 6.61 C 3.729 D 2.302
Hz ppm Int.647.88 7.235 24 640.00 7.147 49 638.56 7.130 40 637.56 7.119 30 631.88 7.056 58 607.00 6.778 64 606.38 6.771 73 605.81 6.765 73 605.19 6.758 63 601.31 6.715 163 599.94 6.699 125 599.06 6.689 127 598.44 6.683 110 595.75 6.652 48 595.31 6.648 48 334.06 3.731 1000 332.06 3.708 46 206.38 2.305 461
in CDCl3
liquid film
4880 A,100M,liquid
