4-Bromobenzyl alcohol(873-75-6) IR1
Product Name4-Bromobenzyl alcohol
CAS873-75-6
Molecular FormulaC7H7BrO
Molecular Weight187.03
InChIInChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey VEDDBHYQWFOITD-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(Br)C=C1
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MassMS-NW-6607 p-bromobenzyl alcohol C7H7BrO (Mass of molecular ion: 186)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.0 26.0 1.5 27.0 5.0 28.0 2.0 29.0 7.2 31.0 6.0 37.0 3.9 38.0 6.4 39.0 10.9 43.0 1.8 44.0 1.3 49.0 2.5 50.0 22.3 51.0 24.9 52.0 6.8 53.0 11.3 53.5 2.4 55.0 1.0 61.0 2.6 62.0 5.0 63.0 8.7 64.0 2.0 73.0 2.4 74.0 9.7 75.0 13.0 76.0 10.8 77.0 98.6 78.0 38.0 79.0 95.0 80.0 6.3 86.0 1.2 87.0 1.0 89.0 11.6 90.0 10.3 91.0 1.9 92.5 1.5 93.5 1.2 105.0 4.8 106.0 1.6 107.0 100.0 108.0 7.9 155.0 5.6 156.0 1.1 157.0 15.1 158.0 1.7 159.0 9.7 169.0 8.6 170.0 1.5 171.0 8.5 172.0 1.3 183.0 3.6 184.0 1.6 185.0 13.1 186.0 57.9 187.0 14.4 188.0 56.1 189.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Br O 0.043 g : 0.5 ml CDCl3 p-bromobenzyl alcohol 
Assign. Shift(ppm)
A 7.45 B 7.20 C 4.590 D 2.19
Hz ppm Int.672.63 7.511 188 670.56 7.488 67 666.19 7.439 87 664.06 7.415 371 661.94 7.392 60 649.56 7.253 72 647.81 7.234 278 645.56 7.209 74 641.19 7.160 52 639.69 7.143 129 639.06 7.136 157 638.50 7.130 72 411.13 4.591 539 196.00 2.189 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
