1-AMINO-8-NAPHTHOL-4-SULFONIC ACID(83-64-7) ¹³C NMR

Product Name1-AMINO-8-NAPHTHOL-4-SULFONIC ACID

CAS 83-64-7

Molecular FormulaC10H9NO4S

Molecular Weight239.25

InChIInChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)

InChIKey LRDIEHDJWYRVPT-UHFFFAOYSA-N

SmilesC1(S(O)(=O)=O)=C2C(C(O)=CC=C2)=C(N)C=C1

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1-AMINO-8-NAPHTHOL-4-SULFONIC ACID(83-64-7) <sup>13</sup>C NMR
Mass

MS-IW-3894          
4-amino-5-hydroxy-1-naphthalenesulfonic acid
C10H9NO4S           (Mass of molecular ion:    239)

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

      18.0       2.3
      39.0       1.3
      48.0       5.8
      50.0       1.4
      51.0       3.1
      52.0       1.6
      62.0       1.5
      63.0       2.6
      64.0       9.1
      64.5       3.1
      65.0       5.0
      65.5       4.8
      74.0       1.2
      75.0       1.6
      76.0       1.7
      77.0       5.3
      78.0       1.0
      79.5       5.2
      80.0      13.6
      87.0       1.0
      88.0       2.1
     102.0       2.8
     103.0       6.5
     104.0       1.9
     113.0       3.1
     114.0      10.0
     115.0       2.5
     130.0      31.0
     131.0       6.8
     140.0       4.2
     141.0       1.7
     158.0       1.9
     159.0     100.0
     160.0      12.3

400 MHz in DMSO-d6

1-AMINO-8-NAPHTHOL-4-SULFONIC ACID(83-64-7) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₉ N O₄ S	saturated in DMSO-d₆
4-amino-5-hydroxy-1-naphthalenesulfonic acid

    Assign.     Shift(ppm)

      A             8.384
      B             7.909
      C             7.386
      D             7.265
      E             6.972
      F             4.

     Hz     ppm     Int.

   3355.35   8.396    680
   3351.32   8.386     73
   3350.83   8.385     70
   3346.80   8.375    739
   3164.92   7.920    911
   3160.89   7.910    113
   3157.23   7.900   1000
   2960.33   7.408    446
   2956.54   7.398     60
   2952.51   7.388    674
   2947.75   7.376     68
   2947.27   7.375     65
   2943.97   7.367    486
   2940.55   7.358     35
   2940.19   7.357     30
   2907.59   7.276    797
   2899.78   7.256    773
   2790.04   6.982    685
   2786.01   6.972     93
   2782.47   6.963    645

in DMSO-d6