4-Bromophenethyl alcohol(4654-39-1) 13C NMR
Product Name4-Bromophenethyl alcohol
CAS4654-39-1
Molecular FormulaC8H9BrO
Molecular Weight201.06
InChIInChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey PMOSJSPFNDUAFY-UHFFFAOYSA-N
SmilesC1(CCO)=CC=C(Br)C=C1
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MassMS-KW-0087 4-bromophenethyl alcohol C8H9BrO (Mass of molecular ion: 200)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.7 27.0 1.7 28.0 2.0 29.0 1.5 31.0 7.8 38.0 2.5 39.0 8.0 40.0 1.1 41.0 1.0 43.0 3.4 45.0 1.4 46.0 1.0 50.0 6.7 51.0 9.2 52.0 1.3 60.0 1.7 61.0 1.2 62.0 3.7 63.0 11.1 64.0 3.9 65.0 5.9 74.0 2.6 75.0 3.6 76.0 2.5 77.0 8.8 78.0 1.3 89.0 22.6 90.0 40.3 91.0 56.5 92.0 5.3 102.0 3.2 103.0 5.7 104.0 1.7 119.0 1.0 120.0 2.2 121.0 9.1 169.0 100.0 170.0 30.9 171.0 99.5 172.0 30.3 173.0 2.0 182.0 8.4 183.0 1.3 184.0 8.0 200.0 33.6 201.0 3.3 202.0 32.6 203.0 2.8
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 4-bromophenethyl alcohol 
Assign. Shift(ppm)
A 7.397 B 7.063 C 3.744 D 2.751 E 2.36
Hz ppm Int.2963.26 7.415 159 2960.82 7.409 760 2958.86 7.404 283 2954.35 7.393 330 2952.39 7.388 826 2949.95 7.382 134 2826.90 7.074 714 2825.07 7.069 268 2820.31 7.057 276 2818.48 7.053 617 2816.16 7.047 104 1503.17 3.762 530 1496.58 3.745 1000 1489.87 3.728 544 1106.20 2.768 423 1099.61 2.752 758 1093.02 2.735 390 941.89 2.357 291
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1H NMR 89.56 MHz C8 H9 Br O 0.04 ml : 0.5 ml CDCl3 4-bromophenethyl alcohol Assign. Shift(ppm)
A 7.398 B 7.078 C 3.770 D 2.775 E 2.04
Hz ppm Int.670.31 7.485 30 667.94 7.459 282 665.94 7.436 103 661.50 7.387 125 659.44 7.364 505 657.13 7.338 76 639.44 7.140 56 637.25 7.116 397 635.06 7.091 109 630.69 7.043 79 630.13 7.036 59 629.06 7.024 204 628.63 7.020 246 345.00 3.853 198 344.56 3.848 201 338.44 3.779 408 338.00 3.775 592 331.81 3.705 283 331.50 3.702 277 254.56 2.843 187 248.00 2.770 320 241.44 2.696 138 182.31 2.036 1000
in CDCl3
4880 A,200 M,liquid
