1-Bromo-2,4-dimethoxybenzene(17715-69-4) MS
Product Name1-Bromo-2,4-dimethoxybenzene
CAS17715-69-4
Molecular FormulaC8H9BrO2
Molecular Weight217.06
InChIInChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey NIUZVSQOXJIHBL-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(OC)C=C1OC
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MassMS-NW-7582 1-bromo-2,4-dimethoxybenzene C8H9BrO2 (Mass of molecular ion: 216)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.6 28.0 1.5 29.0 1.6 37.0 2.4 38.0 3.9 39.0 4.1 49.0 1.1 50.0 6.7 51.0 16.1 52.0 1.4 53.0 4.3 61.0 3.6 62.0 8.4 63.0 23.8 64.0 6.9 65.0 11.2 66.0 11.1 69.0 3.9 74.0 3.3 75.0 3.2 76.0 1.7 77.0 13.9 78.0 4.7 79.0 20.8 80.0 1.2 91.0 1.0 92.0 7.9 93.0 1.5 94.0 3.6 105.0 1.5 107.0 27.8 108.0 13.1 109.0 6.5 117.0 1.1 119.0 1.2 122.0 8.0 137.0 3.1 142.0 1.0 143.0 2.8 144.0 1.2 145.0 2.5 155.0 1.1 157.0 1.7 158.0 4.2 159.0 1.0 160.0 3.7 170.0 3.1 171.0 3.5 172.0 3.6 173.0 34.2 174.0 2.5 175.0 30.7 176.0 2.1 185.0 1.4 186.0 5.0 187.0 2.0 188.0 4.9 201.0 7.2 203.0 7.1 216.0 100.0 217.0 9.4 218.0 99.0 219.0 8.8
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 Br O2 0.05 ml : 0.5 ml CDCl3 1-bromo-2,4-dimethoxybenzene 
Assign. Shift(ppm)
A 7.358 B 6.445 C 6.359 D *1 3.817 E *1 3.745
Hz ppm Int.663.75 7.412 123 655.31 7.317 146 578.88 6.464 93 576.31 6.435 182 574.19 6.412 153 571.44 6.381 52 565.75 6.317 97 563.00 6.287 63 341.94 3.818 921 335.56 3.747 1000
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1H NMR 399.65 MHz C8 H9 Br O2 0.05 ml : 0.5 ml CDCl3 1-bromo-2,4-dimethoxybenzene Assign. Shift(ppm)
A 7.364 B 6.448 C 6.358 D *1 3.821 E *1 3.750 90MHZ:HSP-06-081
Hz ppm Int.2947.75 7.376 339 2939.09 7.355 352 2578.74 6.453 238 2575.93 6.446 264 2546.51 6.372 196 2543.70 6.365 167 2537.84 6.351 183 2535.03 6.344 165 1534.67 3.841 31 1527.22 3.822 949 1514.16 3.789 23 1498.78 3.751 1000
in CDCl3
liquid film
