5-BROMO-2,4-DIHYDROXYBENZOIC ACID(7355-22-8) ¹³C NMR

Product Name5-BROMO-2,4-DIHYDROXYBENZOIC ACID

CAS 7355-22-8

Molecular FormulaC7H5BrO4

Molecular Weight233.02

InChIInChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)

InChIKey ZRBCISXJLHZOMS-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(Br)=C(O)C=C1O

Request For Quotation

¹³CNMR

IR1

IR2

Mass

MS-NW-9505          
5-bromo-2,4-dihydroxybenzoic acid
C7H5BrO4            (Mass of molecular ion:    232)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.5
      18.0      13.8
      27.0       1.0
      28.0       3.9
      29.0       1.4
      37.0       1.9
      38.0       2.2
      39.0       3.8
      41.0       1.0
      44.0       5.7
      45.0       1.6
      49.0       1.3
      50.0       6.1
      51.0      11.6
      52.0       2.5
      53.0       8.4
      54.0       2.6
      55.0       1.4
      61.0       1.6
      62.0       2.9
      63.0       1.7
      65.0       1.3
      66.0       1.9
      69.0      12.7
      77.0       1.7
      78.0       1.7
      79.0      15.6
      80.0       2.9
      81.0       3.5
      82.0       1.0
      93.0       2.7
      94.0       2.6
      95.0       1.0
     106.0       1.8
     107.0       3.7
     108.0       1.7
     117.0       1.7
     119.0       1.2
     130.0       1.3
     131.0       1.6
     132.0       1.3
     133.0       1.0
     135.0       5.1
     145.0       1.1
     147.0       1.2
     157.0       1.3
     158.0      11.6
     159.0       2.7
     160.0      11.5
     161.0       1.5
     173.0       1.6
     175.0       1.9
     185.0       2.1
     186.0      25.3
     187.0       4.4
     188.0      34.6
     189.0       2.8
     190.0       9.6
     214.0     100.0
     215.0      10.5
     216.0      97.6
     217.0      10.0
     218.0       1.0
     232.0      49.2
     233.0       4.1
     234.0      48.4
     235.0       3.9
     268.0       1.1
     292.0       1.0
     294.0       1.9

in DMSO-d6