126716-90-3

1,3-双(4-羟基苯氧基)苯(126716-90-3)红外图谱(IR2)

产品名称:1,3-双(4-羟基苯氧基)苯

CAS:126716-90-3

分子式:C18H14O4

分子量: 294.3

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

InChIKey: CJLPIPXJJJUBIV-UHFFFAOYSA-N

Smiles:C1(OC2=CC=C(O)C=C2)=CC=CC(OC2=CC=C(O)C=C2)=C1

Mass

MS-IW-3656          
4,4'-(m-phenylenedioxy)diphenol
C18H14O4            (Mass of molecular ion:    294)

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

      18.0       1.0
      39.0       3.8
      50.0       1.8
      51.0       1.2
      53.0       1.8
      55.0       1.0
      63.0       2.6
      64.0       2.9
      65.0       4.9
      76.0       5.4
      77.0       1.7
      81.0       3.1
      92.0       2.2
     109.0       5.5
     110.0       3.6
     115.0       1.4
     121.0       1.5
     127.0       3.5
     128.0       7.2
     129.0       2.6
     131.0       2.6
     139.0       1.0
     147.0       4.8
     155.0       1.1
     156.0       2.2
     157.0      25.8
     158.0       3.4
     171.0       1.0
     184.0       2.6
     185.0       3.5
     186.0       1.1
     199.0       1.7
     202.0       1.1
     265.0       1.4
     293.0       3.1
     294.0     100.0
     295.0      20.0
     296.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₄ O₄	0.030 g : 0.5 ml DMSO-d₆
4,4'-(m-phenylenedioxy)diphenol

    Assign.     Shift(ppm)

      A             9.40
      B             7.230
      C             6.900
      D             6.788
      E             6.525
      F             6.398

     Hz     ppm     Int.

   3754.73   9.396   1000
   2898.10   7.252    118
   2889.86   7.231    240
   2881.62   7.211    134
   2766.88   6.924     56
   2763.37   6.915    573
   2761.08   6.909    225
   2756.65   6.898    248
   2754.36   6.892    859
   2750.85   6.884    103
   2720.18   6.807     99
   2716.67   6.798    825
   2714.39   6.792    265
   2709.96   6.781    210
   2707.67   6.776    602
   2704.16   6.767     60
   2613.22   6.539    301
   2610.78   6.533    305
   2604.98   6.519    274
   2602.54   6.513    311
   2559.20   6.404    154
   2556.92   6.398    264
   2554.63   6.393    136

in DMSO-d6