4-Biphenylmethanol(3597-91-9) MS
Product Name4-Biphenylmethanol
CAS3597-91-9
Molecular FormulaC13H12O
Molecular Weight184.23
InChIInChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKey AXCHZLOJGKSWLV-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CO)C=C1
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MassMS-NW-9700 4-phenylbenzyl alcohol C13H12O (Mass of molecular ion: 184)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.5 18.0 8.1 39.0 2.3 50.0 2.1 51.0 6.7 52.0 1.2 62.0 1.3 63.0 4.6 64.0 1.2 65.0 1.5 69.5 1.1 74.0 2.0 75.0 2.8 76.0 6.1 76.5 1.1 77.0 21.8 78.0 10.3 79.0 9.1 82.0 1.8 82.5 1.8 87.0 1.2 89.0 2.2 91.0 3.1 91.5 2.3 92.0 3.0 101.0 1.0 102.0 2.1 105.0 4.7 106.0 2.4 107.0 10.7 115.0 8.9 116.0 1.3 126.0 2.6 127.0 5.5 128.0 6.6 129.0 5.5 139.0 2.4 141.0 3.1 150.0 2.3 151.0 7.2 152.0 26.2 153.0 21.8 154.0 10.6 155.0 77.9 156.0 12.7 157.0 1.2 163.0 1.4 164.0 2.0 165.0 22.7 166.0 17.0 167.0 17.9 168.0 3.5 169.0 3.0 181.0 4.8 182.0 3.2 183.0 28.3 184.0 100.0 185.0 14.0 186.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 O 0.036 g : 0.5 ml CDCl3 4-phenylbenzyl alcohol 
Assign. Shift(ppm)
A 7.57 B 7.42 C 7.40 D 7.337 E 4.687 F 2.10
Hz ppm Int.3031.01 7.585 356 3029.54 7.581 513 3028.69 7.579 579 3026.86 7.574 261 3022.46 7.563 619 3021.24 7.560 606 3020.26 7.558 682 3013.92 7.542 56 2974.98 7.444 172 2974.12 7.442 240 2972.29 7.438 116 2966.92 7.424 499 2965.58 7.421 283 2961.91 7.412 542 2959.23 7.405 411 2957.15 7.400 158 2955.44 7.396 210 2953.98 7.392 385 2953.49 7.391 412 2939.58 7.356 120 2938.35 7.353 207 2937.01 7.349 129 2932.98 7.339 96 2930.91 7.334 234 2928.83 7.329 88 2924.93 7.319 67 2923.71 7.316 99 2922.36 7.313 62 1873.66 4.689 1000 840.82 2.104 113
in CDCl3
KBr disc
nujol mull
