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返回ChemicalBook首页>CAS数据库列表>5085-95-0更多图谱> 1,4-二(3-羟基苯氧基)苯(5085-95-0)红外图谱(IR2)

5085-95-0

1,4-二(3-羟基苯氧基)苯(5085-95-0)红外图谱(IR2)

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

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    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

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

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KBr disc

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nujol mull

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