118-79-6

三溴苯酚(118-79-6)核磁图(¹³CNMR)

产品名称:三溴苯酚

CAS:118-79-6

分子式:C6H3Br3O

分子量: 330.8

InChI:InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

Smiles:C1(O)=C(Br)C=C(Br)C=C1Br

Mass

MS-NW-0292          
2,4,6-tribromophenol
C6H3Br3O            (Mass of molecular ion:    328)

   Source Temperature: 150 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.5
      37.0       3.6
      38.0       1.4
      49.0       1.0
      50.0       1.0
      53.0       4.2
      60.0       2.1
      61.0      10.4
      62.0      18.1
      63.0       9.0
      70.0       1.9
      71.0       2.0
      73.0       1.4
      74.0       1.9
      85.0       1.0
      90.0       4.1
      91.0       4.2
     110.0       2.1
     111.0       4.2
     112.0       2.1
     117.0       1.4
     118.0       1.0
     119.0       1.0
     125.0       1.7
     140.0       1.0
     141.0      13.2
     142.0       2.5
     143.0      13.0
     144.0       1.5
     164.0       1.3
     165.0       3.8
     166.0       3.9
     167.0       1.2
     169.0       1.6
     170.0       4.1
     171.0       1.9
     172.0       3.9
     197.0       1.0
     220.0       4.3
     221.0       3.5
     222.0       8.6
     223.0       6.3
     224.0       4.3
     225.0       3.0
     248.0       4.0
     249.0       1.1
     250.0       7.5
     251.0       2.2
     252.0       3.8
     253.0       1.1
     301.0       1.5
     303.0       1.5
     328.0      34.5
     329.0       2.8
     330.0     100.0
     331.0       6.9
     332.0      98.0
     333.0       6.8
     334.0      32.0
     335.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br₃ O	0.039 g : 0.5 ml CDCl₃
2,4,6-tribromophenol

    Assign.     Shift(ppm)

      A             7.588
      B             5.94

     Hz     ppm     Int.

   3032.59   7.589   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

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三溴苯酚(118-79-6)核磁图(13CNMR)

三溴苯酚(118-79-6)核磁图(¹³CNMR)