BIS(4-DIETHYLAMINOPHENYL)METHANOL(134-91-8) ¹³C NMR

Product NameBIS(4-DIETHYLAMINOPHENYL)METHANOL

CAS 134-91-8

Molecular FormulaC21H30N2O

Molecular Weight326.48

InChIInChI=1S/C21H30N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16,21,24H,5-8H2,1-4H3

InChIKey WCIQBUVXZZYFJP-UHFFFAOYSA-N

SmilesC1(=CC=C(N(CC)CC)C=C1)C(O)C1C=CC(N(CC)CC)=CC=1

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Mass

MS-IW-7567          
4,4'-bis(diethylamino)benzhydryl alcohol
C21H30N2O           (Mass of molecular ion:    326)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.0
      28.0       1.2
      29.0       1.9
      77.0       2.2
      78.0       1.1
      79.0       1.0
      90.0       1.0
      91.0       2.0
      96.5       1.0
     104.0       2.1
     105.0       1.8
     106.0       3.1
     111.0       1.3
     112.0       5.8
     112.5       1.0
     117.0       1.2
     118.0      10.2
     119.0       5.6
     120.0       5.7
     125.0       1.6
     126.0       5.8
     126.5       1.1
     127.0       1.8
     132.0       7.7
     133.0       5.1
     134.0       9.1
     140.0      16.5
     140.5       3.7
     141.0       2.1
     146.0       2.0
     147.0       6.7
     147.5       3.6
     148.0      18.9
     148.5       3.7
     149.0       2.3
     150.0      15.2
     151.0       2.0
     152.0       1.0
     155.0       4.1
     155.5       3.1
     160.0       1.4
     162.0       4.9
     163.0       4.7
     165.0       3.7
     166.0       1.7
     176.0      12.9
     177.0       2.1
     178.0       4.1
     194.0       1.6
     221.0       2.2
     222.0       1.0
     223.0       4.8
     224.0       1.1
     235.0       1.2
     237.0       3.9
     238.0       2.3
     239.0       2.2
     251.0      16.7
     252.0       4.0
     253.0       1.3
     265.0      12.5
     266.0       4.0
     267.0      13.4
     268.0       2.7
     279.0       2.5
     280.0       1.5
     281.0       5.7
     282.0       3.8
     283.0       1.1
     293.0       2.2
     295.0     100.0
     296.0      23.4
     297.0       2.9
     307.0       1.2
     309.0      80.2
     310.0      68.8
     311.0      56.6
     312.0      11.4
     313.0       1.3
     323.0       1.1
     324.0      12.5
     325.0      10.3
     326.0      46.2
     327.0      10.7
     328.0       1.3
     335.0       1.6
     350.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₃₀ N₂ O	0.040 g : 0.5 ml CDCl₃
4,4'-bis(diethylamino)benzhydryl alcohol

    Assign.     Shift(ppm)

      A             7.20
      B             6.628
      C             5.662
      D             3.317
      E             2.01
      F             1.129

     Hz     ppm     Int.

   2880.98   7.209    214
   2879.27   7.205     97
   2874.15   7.192     73
   2872.44   7.188    234
   2872.07   7.187    221
   2653.44   6.640    239
   2651.37   6.635     79
   2646.61   6.623     74
   2644.53   6.618    234
   2642.33   6.612     50
   2264.65   5.667     44
   2261.35   5.659     46
   1336.67   3.345    121
   1329.59   3.327    403
   1322.63   3.310    431
   1315.55   3.292    162
    806.76   2.019     53
    803.22   2.010     54
    458.13   1.147    466
    455.81   1.141     94
    451.17   1.129   1000
    448.73   1.123    206
    444.09   1.112    494
    441.65   1.106     95

in CDCl3