4-Amino-3-hydroxybenzoic acid(2374-03-0) ¹H NMR

Product Name4-Amino-3-hydroxybenzoic acid

CAS 2374-03-0

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)

InChIKey NFPYJDZQOKCYIE-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(N)C(O)=C1

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Mass

MS-IW-2632          
4-amino-3-hydroxybenzoic acid
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       3.3
      28.0       2.4
      39.0       1.8
      40.0       1.0
      41.0       1.1
      50.0       1.9
      51.0       3.4
      52.0       4.7
      53.0       6.8
      53.5       1.8
      54.0       2.5
      62.0       1.2
      62.5       3.6
      63.0       3.3
      68.0       2.0
      78.0       2.3
      79.0       2.8
      80.0      13.2
      81.0       1.0
      90.0       1.1
      96.0       2.0
     107.0       2.1
     108.0      11.7
     109.0       1.0
     124.0       2.2
     136.0      71.6
     137.0       6.0
     138.0       1.1
     152.0       2.3
     153.0     100.0
     154.0       8.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N O₃	0.039 g : 0.5 ml DMSO-d₆
4-amino-3-hydroxybenzoic acid

    Assign.     Shift(ppm)

      A     *1     12.
      B     *1      9.36
      C             7.273
      D             7.263
      E             6.604
      F             5.3

     Hz     ppm     Int.

   3738.79   9.356     63
   2907.04   7.274   1000
   2905.57   7.271    533
   2900.08   7.257    339
   2898.24   7.252    266
   2643.83   6.616    355
   2642.18   6.612    164
   2636.86   6.598    109
   2635.03   6.594    346

in DMSO-d6