間羥基聯(lián)苯(580-51-8)紅外圖譜(IR2)

產(chǎn)品名稱:間羥基聯(lián)苯

CAS:580-51-8

分子式:C12H10O

分子量: 170.21

InChI:InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H

InChIKey: UBXYXCRCOKCZIT-UHFFFAOYSA-N

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

Mass

MS-NW-4470          
biphenyl-3-ol
C12H10O             (Mass of molecular ion:    170)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      39.0       2.9
      50.0       1.5
      51.0       2.5
      55.0       1.9
      57.5       1.3
      62.0       1.2
      63.0       3.3
      65.0       1.3
      70.0       1.4
      72.0       1.6
      74.0       1.2
      75.0       1.4
      76.0       2.5
      77.0       2.0
      84.0       2.7
      85.0       3.3
      89.0       1.7
     102.0       1.5
     115.0      11.0
     116.0       1.6
     139.0       4.1
     140.0       1.4
     141.0      17.9
     142.0       3.2
     144.0       1.1
     151.0       1.3
     152.0       2.1
     153.0       1.3
     168.0       1.9
     169.0       8.5
     170.0     100.0
     171.0      13.1
     172.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₀ O	0.041 g : 0.5 ml CDCl₃
biphenyl-3-ol

    Assign.     Shift(ppm)

      A          7.64 to 7.14
      B             7.17
      C             7.04
      D             6.80
      E             5.05

     Hz     ppm     Int.

    681.19   7.606    212
    680.06   7.594    147
    679.50   7.588    174
    677.75   7.568    313
    676.06   7.549    311
    674.88   7.536    202
    674.00   7.526    306
    672.75   7.512    702
    670.88   7.491   1000
    668.44   7.464    426
    666.88   7.447    399
    666.19   7.439    305
    664.13   7.416    675
    663.25   7.406    785
    661.00   7.381    743
    659.06   7.359    481
    657.94   7.347    765
    656.00   7.325    876
    653.75   7.300    603
    653.19   7.294    531
    652.13   7.282    150
    646.38   7.218    597
    645.75   7.211    744
    643.50   7.186    829
    641.94   7.168    578
    640.38   7.151     59
    637.56   7.119    123
    635.94   7.101    272
    634.25   7.082    149
    632.81   7.066    314
    632.25   7.060    409
    631.19   7.048    274
    630.25   7.038    468
    629.63   7.031    455
    628.75   7.021    342
    628.13   7.014    313
    614.13   6.858    387
    612.44   6.839    332
    611.56   6.829    319
    609.94   6.811    257
    606.81   6.776    281
    605.06   6.756    259
    604.25   6.747    242
    602.56   6.729    212
    452.19   5.050    395

in CDCl3