56631-59-5

O-ISOPROPYLPHENETOLE(56631-59-5) IR1

Product NameO-ISOPROPYLPHENETOLE

CAS 56631-59-5

Molecular FormulaC11H16O

Molecular Weight164.24

InChIInChI=1S/C11H16O/c1-4-12-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3

InChIKey ALMWXJNJADEHOT-UHFFFAOYSA-N

SmilesC1(OCC)=CC=CC=C1C(C)C

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¹HNMR

¹³CNMR

IR1

O-ISOPROPYLPHENETOLE(56631-59-5) IR1
Mass

MS-IW-3557          
o-isopropylphenetole
C11H16O             (Mass of molecular ion:    164)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       3.9
      29.0       3.6
      39.0       5.7
      41.0       5.0
      43.0       1.1
      50.0       1.2
      51.0       4.3
      52.0       1.3
      53.0       1.9
      55.0       1.3
      63.0       2.5
      65.0       6.1
      66.0       1.3
      77.0      16.0
      78.0       3.0
      79.0       4.7
      89.0       1.5
      91.0      18.7
      92.0       2.7
      93.0       5.0
      94.0       2.0
      95.0       2.1
     102.0       1.6
     103.0      13.6
     104.0       1.8
     105.0      11.8
     106.0       1.2
     107.0      12.3
     108.0       1.1
     115.0       3.1
     117.0       1.1
     119.0       3.2
     120.0       2.7
     121.0      82.7
     122.0       7.6
     133.0       1.0
     135.0       6.3
     136.0       1.5
     149.0     100.0
     150.0      11.0
     164.0      44.5
     165.0       5.5
     177.0       1.0

400 MHz in CDCl3

O-ISOPROPYLPHENETOLE(56631-59-5) IR1

¹H NMR	399.65 MHz
C₁₁ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
o-isopropylphenetole

    Assign.     Shift(ppm)

      A             7.191
      B             7.108
      C             6.891
      D             6.795
      E             3.991
      F             3.344
      G             1.392
      J             1.216

     Hz     ppm     Int.

   2878.91   7.204     90
   2877.20   7.200     99
   2871.34   7.185    101
   2869.63   7.181    113
   2850.34   7.133     64
   2848.51   7.128     61
   2842.90   7.114     98
   2842.41   7.113     94
   2841.06   7.109     91
   2840.58   7.108     86
   2834.72   7.094     88
   2833.01   7.089     82
   2761.96   6.911     76
   2761.23   6.910     78
   2760.86   6.909     76
   2754.52   6.893    125
   2753.66   6.891    127
   2747.07   6.874     61
   2746.22   6.872     60
   2745.85   6.871     59
   2720.09   6.807    127
   2719.12   6.804    121
   2711.91   6.786    113
   2710.94   6.784    109
   1605.47   4.018    110
   1598.39   4.000    303
   1591.43   3.983    310
   1584.47   3.965    117
   1350.71   3.380     30
   1343.75   3.363     73
   1336.91   3.346     98
   1329.96   3.328     76
   1323.00   3.311     32
    563.23   1.410    408
    556.27   1.392    677
    553.71   1.386     43
    551.51   1.380     41
    549.32   1.375    393
    546.63   1.368     36
    499.76   1.251     34
    495.12   1.239     33
    489.50   1.225   1000
    482.54   1.208    974

in CDCl3

liquid film

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