4-Bromophenetole(588-96-5) 1H NMR
Product Name4-Bromophenetole
CAS588-96-5
Molecular FormulaC8H9BrO
Molecular Weight201.06
InChIInChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey WVUYYXUATWMVIT-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(OCC)C=C1
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MassMS2015-05280CW p-bromophenetole C8H9BrO (Mass of molecular ion: 200)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 2.0 29.0 3.0 38.0 2.1 39.0 4.3 50.0 3.2 51.0 1.1 62.0 2.3 63.0 7.5 64.0 4.4 65.0 17.4 66.0 1.1 74.0 2.1 75.0 4.2 76.0 3.6 77.0 1.6 91.0 1.1 92.0 1.8 93.0 20.0 94.0 1.6 117.0 1.8 119.0 1.7 120.0 1.1 143.0 4.0 145.0 4.0 155.0 2.7 157.0 2.8 171.0 1.1 172.0 100.0 173.0 7.6 174.0 97.9 175.0 6.5 200.0 43.9 201.0 4.0 202.0 43.0 203.0 3.8
in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 Br O 0.05 ml : 0.5 ml CDCl3 p-bromophenetole 
Assign. Shift(ppm)
A 7.329 B 6.732 C 3.937 D 1.371
Hz ppm Int.2937.13 7.350 87 2933.84 7.342 649 2931.52 7.336 218 2929.32 7.330 33 2927.00 7.324 234 2925.29 7.320 275 2924.68 7.319 666 2921.39 7.310 83 2698.36 6.752 79 2695.07 6.744 543 2692.75 6.738 180 2688.23 6.727 183 2685.91 6.721 491 2682.62 6.713 62 1584.11 3.964 194 1577.15 3.947 524 1570.19 3.929 523 1563.11 3.912 197 555.05 1.389 626 552.49 1.383 34 548.10 1.372 1000 542.85 1.359 49 541.14 1.355 588
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1H NMR 89.56 MHz C8 H9 Br O 0.04 ml : 0.5 ml CDCl3 p-bromophenetole Assign. Shift(ppm)
A 7.336 B 6.750 C 3.965 D 1.386
Hz ppm Int.665.69 7.433 34 662.38 7.396 444 660.13 7.371 141 655.63 7.321 150 653.31 7.295 615 650.00 7.258 66 611.88 6.833 51 608.63 6.796 536 606.31 6.770 143 601.81 6.720 115 599.50 6.694 384 596.25 6.658 36 366.00 4.087 127 359.00 4.009 422 352.00 3.931 445 345.06 3.853 154 130.94 1.463 506 124.00 1.385 1000 117.00 1.307 445
in CDCl3
in DMSO-d6
liquid film
4880 A,200 M,liquid
