2050-49-9

2,4-DIBROMO-1-NAPHTHOL(2050-49-9) MS

Product Name2,4-DIBROMO-1-NAPHTHOL

CAS 2050-49-9

Molecular FormulaC10H6Br2O

Molecular Weight301.96

InChIInChI=1S/C10H6Br2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H

InChIKey PSGUDVJPEWTBRM-UHFFFAOYSA-N

SmilesC1(O)=C2C(C=CC=C2)=C(Br)C=C1Br

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2,4-DIBROMO-1-NAPHTHOL(2050-49-9) MS
Mass

MS-NW-2391          
2,4-dibromo-1-naphthol
C10H6Br2O           (Mass of molecular ion:    300)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       2.5
      18.0      12.2
      27.0       1.2
      28.0       2.3
      29.0       1.0
      37.0       3.0
      38.0       3.0
      39.0       8.5
      43.0       2.3
      44.0       1.2
      49.0       1.5
      50.0       5.3
      51.0       3.7
      53.0       2.9
      55.0       4.6
      55.5       2.6
      56.0      13.7
      56.5       9.9
      57.0      11.6
      57.5       2.2
      61.0       6.4
      62.0      13.6
      63.0      25.7
      64.0       4.0
      71.0       5.1
      73.0       2.5
      74.0       9.5
      75.0       5.4
      77.0       1.3
      79.0       1.4
      80.0       1.8
      81.0       1.3
      82.0       1.8
      84.0       1.2
      85.0       5.0
      86.0      13.8
      87.0      16.3
      88.0      13.7
      89.0       2.5
      96.0       6.7
      96.5      17.0
      97.0       7.9
      97.5      16.1
      98.0       3.4
      99.0       1.3
     109.0       1.7
     110.0       4.3
     111.0       3.3
     112.0       3.8
     113.0      89.5
     114.0      52.3
     115.0      10.3
     116.0       1.1
     137.0       1.1
     141.0       4.1
     142.0      20.9
     143.0       2.6
     150.0       2.9
     151.0       5.6
     152.0       2.8
     165.0       1.3
     167.0       1.3
     191.0       1.4
     192.0      29.5
     193.0      61.5
     194.0      33.4
     195.0      57.3
     196.0       5.6
     220.0       1.6
     221.0       3.5
     222.0       6.6
     223.0       3.5
     224.0       4.1
     271.0       2.0
     273.0       4.0
     275.0       1.7
     300.0      51.9
     301.0       6.3
     302.0     100.0
     303.0      11.1
     304.0      47.0
     305.0       5.4

90 MHz in CDCl3

2,4-DIBROMO-1-NAPHTHOL(2050-49-9) MS

¹H NMR	89.56 MHz
C₁₀ H₆ Br₂ O	0.048 g : 0.5 ml CDCl₃
2,4-dibromo-1-naphthol

    Assign.     Shift(ppm)

      A             8.22
      B             8.12
      C             7.764
      D     *1      7.60
      E     *1      7.53
      F             5.93

     Hz     ppm     Int.

    742.06   8.286    125
    741.38   8.279    147
    739.94   8.262    126
    737.19   8.232     87
    735.69   8.215    136
    734.38   8.200    159
    732.31   8.177    196
    731.63   8.170    296
    731.06   8.163    141
    729.13   8.142    143
    727.81   8.127    115
    726.06   8.107     78
    725.31   8.099     67
    723.25   8.076    134
    721.94   8.061    188
    721.25   8.054    154
    695.38   7.765   1000
    688.25   7.685    118
    683.50   7.632    305
    681.44   7.609    442
    677.56   7.566    459
    673.56   7.521    319
    671.88   7.503    177
    530.63   5.925    843

in CDCl3