5085-95-0

1,4-二(3-羟基苯氧基)苯(5085-95-0)核磁图(¹³CNMR)

产品名称:1,4-二(3-羟基苯氧基)苯

CAS:5085-95-0

分子式:C18H14O4

分子量: 294.3

InChI:InChI=1S/C18H14O4/c19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18/h1-12,19-20H

InChIKey: CHBWEVDVYGBMEJ-UHFFFAOYSA-N

Smiles:C1(OC2C=CC=C(O)C=2)=CC=C(OC2C=CC=C(O)C=2)C=C1

Mass

MS-IW-4041          
3,3'-(p-phenylenedioxy)diphenol
C18H14O4            (Mass of molecular ion:    294)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       4.6
      39.0       5.5
      53.0       1.0
      63.0       2.4
      64.0       3.2
      65.0      10.5
      69.0       1.4
      91.0       1.4
      92.0       1.6
      93.0       4.1
      94.0       1.0
     110.0       1.1
     115.0       3.2
     116.0       2.0
     117.0       1.5
     121.0       1.7
     127.0       2.7
     128.0       5.1
     129.0       6.2
     131.0       1.3
     133.0       2.5
     145.0       1.8
     147.0       4.1
     155.0       1.5
     156.0       1.4
     157.0       4.1
     173.0       1.6
     183.0       3.2
     184.0       4.8
     185.0       2.5
     186.0       4.1
     201.0       2.0
     202.0       3.8
     225.0       1.2
     266.0       1.2
     293.0       1.1
     294.0     100.0
     295.0      19.8
     296.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₄ O₄	0.042 g : 0.5 ml DMSO-d₆
3,3'-(p-phenylenedioxy)diphenol

    Assign.     Shift(ppm)

      A             9.62
      B             7.155
      C             7.065
      D             6.539
      E             6.431
      F             6.395
     
     J(B,D)=8.1HZ
     J(B,E)=8.1HZ
     J(D,E)=2.3HZ
     J(D,F)=2.3HZ
     J(E,F)=2.3HZ

     Hz     ppm     Int.

   3845.67   9.623    378
   2868.04   7.177    112
   2859.95   7.157    229
   2851.72   7.136    128
   2823.94   7.067   1000
   2619.02   6.554     82
   2618.10   6.551     96
   2616.73   6.548     88
   2615.81   6.546     95
   2610.78   6.533     78
   2610.02   6.531     83
   2608.64   6.528     88
   2607.73   6.526     86
   2575.99   6.446     79
   2575.23   6.444     87
   2573.70   6.440     99
   2572.78   6.438     99
   2567.90   6.426     69
   2567.14   6.424     72
   2565.61   6.420    109
   2564.70   6.418     99
   2557.83   6.401    161
   2555.54   6.395    232
   2553.25   6.389    104

in DMSO-d6