3-Methoxybenzyl chloride(824-98-6) IR1
Product Name3-Methoxybenzyl chloride
CAS824-98-6
Molecular FormulaC8H9ClO
Molecular Weight156.61
InChIInChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey VGISFWWEOGVMED-UHFFFAOYSA-N
SmilesC1(CCl)=CC=CC(OC)=C1
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MassMS-NW-7794 m-(chloromethyl)anisole C8H9ClO (Mass of molecular ion: 156)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 27.0 1.1 38.0 2.1 39.0 5.7 50.0 3.6 51.0 8.3 52.0 4.3 62.0 1.7 63.0 4.2 64.0 1.4 65.0 4.7 75.0 1.0 77.0 14.8 78.0 9.9 79.0 1.0 89.0 4.1 90.0 2.0 91.0 24.0 92.0 2.1 105.0 1.0 106.0 2.1 113.0 1.1 121.0 100.0 122.0 9.8 125.0 2.3 155.0 1.2 156.0 39.1 157.0 3.8 158.0 12.5 159.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3 m-(chloromethyl)anisole 
Assign. Shift(ppm)
A 7.226 B 6.925 C 6.901 D 6.826 E 4.503 F 3.749
Hz ppm Int.2896.36 7.248 104 2888.55 7.228 167 2880.62 7.208 131 2771.61 6.936 113 2770.87 6.934 108 2763.92 6.916 111 2763.43 6.915 106 2760.13 6.907 125 2757.69 6.901 166 2756.10 6.897 125 2733.76 6.841 89 2733.03 6.839 97 2731.20 6.834 83 2730.47 6.833 84 2725.59 6.820 80 2724.73 6.818 87 2723.02 6.814 77 2722.17 6.812 78 1799.93 4.504 608 1498.54 3.750 1000
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1H NMR 89.56 MHz C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3 m-(chloromethyl)anisole Assign. Shift(ppm)
A 7.21 B 6.90 C 6.88 D 6.84 E 4.498 F 3.742 B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.655.56 7.320 40 647.75 7.233 108 645.75 7.211 24 641.63 7.165 45 639.75 7.144 103 623.31 6.960 81 622.88 6.955 84 622.25 6.948 83 621.81 6.943 87 620.06 6.924 57 617.75 6.898 146 615.81 6.876 232 613.38 6.849 51 608.00 6.789 49 606.75 6.775 44 605.69 6.763 35 604.38 6.749 29 406.88 4.544 21 402.94 4.500 453 335.31 3.744 1000
in CDCl3
liquid film
4880 A,200 M,liquid
