二苯醚(101-84-8)紅外圖譜(IR1)

產(chǎn)品名稱:二苯醚

CAS:101-84-8

分子式:C12H10O

分子量: 170.21

InChI:InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey: USIUVYZYUHIAEV-UHFFFAOYSA-N

Smiles:O(C1=CC=CC=C1)C1=CC=CC=C1

Mass

MS-NW-0562          
diphenyl ether
C12H10O             (Mass of molecular ion:    170)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       2.0
      38.0       2.1
      39.0       8.8
      50.0       5.2
      51.0      24.3
      52.0       1.3
      55.0       1.1
      63.0       2.9
      64.0       1.3
      65.0       5.2
      66.0       1.6
      70.0       1.7
      71.0       2.3
      74.0       1.5
      75.0       1.2
      76.0       1.5
      77.0      32.8
      78.0       2.5
      85.0       1.4
      94.0       4.2
     115.0       8.6
     116.0       1.6
     139.0       1.5
     141.0      38.0
     142.0      26.9
     143.0       2.9
     168.0       1.4
     169.0      16.4
     170.0     100.0
     171.0      13.4
     172.0       1.0

parameter in CDCl3

¹H NMR	300 MHz
C₁₂ H₁₀ O	10 wt% in CCl₄
diphenyl ether

    Parameter     ppm  Hz

      D(A)         6.925
      D(B)         7.218
      D(C)         6.977
       J(A,A')         2.63
       J(A,B)          8.25
       J(A,B')         0.46
       J(A,C)          1.11
       J(A',B)         0.46
       J(A',B')        8.25
       J(A',C)         1.11
       J(B,B')         1.73
       J(B,C)          7.41
       J(B',C)         7.41
     
     CASTELLANO,S. ET AL. TETRAHEDRON LETT. 1967, 5205

     Hz     ppm     Int.

   2176.03   7.253     80
   2173.79   7.246    458
   2171.65   7.239    209
   2168.74   7.229    114
   2166.34   7.221    810
   2165.28   7.218    745
   2163.01   7.210    135
   2159.75   7.199    297
   2157.80   7.193    727
   2155.44   7.185    114
   2101.28   7.004    182
   2100.16   7.001    361
   2099.03   6.997    239
   2094.19   6.981    189
   2092.78   6.976    562
   2091.28   6.971    228
   2086.48   6.955    147
   2085.36   6.951    279
   2084.18   6.947    309
   2082.21   6.941    861
   2081.05   6.937   1000
   2078.85   6.929    268
   2075.44   6.918    295
   2074.53   6.915    472
   2073.46   6.912    794
   2072.44   6.908    674
   2069.85   6.899     84

in CDCl3