(+/-)-HYDROBENZOIN(655-48-1) 1H NMR
Product Name(+/-)-HYDROBENZOIN
CAS655-48-1
Molecular FormulaC14H14O2
Molecular Weight214.26
InChIInChI=1/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/s3
InChIKey IHPDTPWNFBQHEB-HCTHJJLONA-N
Smiles[C@H](C1=CC=CC=C1)(O)[C@@H](C1=CC=CC=C1)O |&1:0,8,r|
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MassMS-IW-5080 (+-)-1,2-diphenyl-1,2-ethanediol C14H14O2 (Mass of molecular ion: 214)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.0 18.0 5.2 29.0 1.0 39.0 1.8 50.0 1.4 51.0 5.6 52.0 1.4 53.0 1.0 63.0 1.6 65.0 1.0 76.0 1.3 77.0 24.6 78.0 4.4 79.0 48.1 80.0 3.7 82.0 1.0 82.5 1.2 83.0 1.1 89.0 2.5 90.0 2.0 91.0 1.8 105.0 12.2 106.0 4.3 107.0 90.1 108.0 100.0 109.0 8.0 152.0 5.0 165.0 9.2 166.0 3.3 167.0 30.2 168.0 4.6 178.0 1.4 179.0 2.3 180.0 2.7 196.0 1.9 214.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H14 O2 0.039 g : 0.5 ml DMSO-d6 (+-)-1,2-diphenyl-1,2-ethanediol 
Assign. Shift(ppm)
A 7.16 B 7.14 C 7.09 D 5.37 E 4.575
Hz ppm Int.2868.90 7.179 83 2865.97 7.172 122 2864.38 7.168 80 2860.47 7.158 455 2858.64 7.153 276 2856.93 7.149 220 2854.74 7.144 502 2852.78 7.139 1000 2850.59 7.133 430 2846.68 7.123 270 2843.51 7.116 46 2840.94 7.109 91 2838.99 7.104 88 2835.57 7.096 640 2833.50 7.090 516 2831.42 7.085 186 2829.22 7.080 221 2827.76 7.076 400 2826.17 7.072 299 2823.61 7.066 48 2144.90 5.367 369 2143.55 5.364 346 2142.21 5.361 342 2140.75 5.357 362 1830.57 4.581 310 1829.35 4.578 310 1828.00 4.575 303 1826.66 4.571 303
in DMSO-d6
KBr disc
nujol mull
