4-Methylbenzhydrol(1517-63-1) ¹³C NMR

Product Name4-Methylbenzhydrol

CAS 1517-63-1

Molecular FormulaC14H14O

Molecular Weight198.26

InChIInChI=1S/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3

InChIKey IHASOVONMUHDND-UHFFFAOYSA-N

SmilesC1(=CC=C(C)C=C1)C(O)C1=CC=CC=C1

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Mass

MS-IW-7599          
4-methylbenzhydryl alcohol
C14H14O             (Mass of molecular ion:    198)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.1
      27.0       1.4
      39.0       5.6
      41.0       1.6
      50.0       2.9
      51.0      10.2
      52.0       2.1
      53.0       1.6
      62.0       1.4
      63.0       5.3
      64.0       1.7
      65.0      11.9
      74.0       1.3
      75.0       1.9
      76.0       5.6
      77.0      40.9
      78.0      10.4
      79.0       9.6
      82.0       2.3
      82.5       2.6
      83.0       2.3
      84.0       2.1
      85.0       1.1
      88.0       1.3
      89.0      10.4
      89.5       1.8
      90.0       5.8
      91.0      40.3
      92.0      51.1
      93.0      38.0
      94.0       2.8
      98.0       1.1
     102.0       1.0
     103.0       1.5
     104.0       2.5
     105.0      91.0
     106.0       8.6
     107.0       7.6
     115.0       3.5
     119.0     100.0
     120.0      16.7
     121.0      19.9
     122.0       1.8
     127.0       1.2
     128.0       2.3
     139.0       1.9
     141.0       1.9
     151.0       1.9
     152.0       7.6
     153.0       3.9
     154.0       2.5
     155.0       1.2
     163.0       1.2
     164.0       1.6
     165.0      24.2
     166.0      13.2
     167.0      37.4
     168.0       5.7
     169.0       3.1
     176.0       1.5
     177.0       1.3
     178.0       6.3
     179.0       5.5
     180.0       3.1
     181.0      20.4
     182.0      32.3
     183.0      42.4
     184.0       5.8
     195.0       1.2
     196.0      18.7
     197.0      25.1
     198.0      95.7
     199.0      14.5
     200.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₄ O	0.039 g : 0.5 ml CDCl₃
4-methylbenzhydryl alcohol

    Assign.     Shift(ppm)

      A             7.34
      B             7.31
      C             7.23
      D             7.227
      E             7.121
      F             5.75
      G             2.32
      J             2.310
     
     J(F,G)=3.5HZ

     Hz     ppm     Int.

   2940.55   7.358     92
   2938.96   7.354    127
   2938.48   7.353    135
   2936.89   7.349     51
   2936.28   7.348     47
   2931.76   7.336    309
   2930.66   7.334    281
   2926.76   7.324    175
   2925.90   7.322    253
   2923.83   7.316     66
   2919.68   7.306    216
   2918.82   7.304    350
   2917.24   7.300    133
   2912.84   7.289     81
   2911.01   7.284    134
   2909.42   7.280     33
   2899.05   7.254     77
   2897.46   7.250    131
   2895.75   7.246     82
   2892.82   7.239    288
   2890.99   7.234    193
   2886.47   7.223    127
   2884.77   7.219    384
   2849.24   7.130    297
   2841.43   7.110    215
   2300.05   5.756    125
   2297.49   5.749    128
    929.57   2.326    160
    926.15   2.318    195
    923.34   2.311   1000

in CDCl3