(+/-)-HYDROBENZOIN(655-48-1) IR1

Product Name(+/-)-HYDROBENZOIN

CAS 655-48-1

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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Mass

MS-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

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