81-04-9

1,5-Naphthalenedisulfonic acid(81-04-9) ¹³C NMR

Product Name1,5-Naphthalenedisulfonic acid

CAS 81-04-9

Molecular FormulaC10H8O6S2

Molecular Weight288.3

InChIInChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)

InChIKey XTEGVFVZDVNBPF-UHFFFAOYSA-N

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

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¹³CNMR

IR1

IR2

1,5-Naphthalenedisulfonic acid(81-04-9) <sup>13</sup>C NMR
Mass

MS-NW-9580          
1,5-naphthalenedisulfonic acid
C10H8O6S2 4H2O      (Mass of molecular ion:    288)

   Source Temperature: 230 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      17.0       4.7
      18.0      24.2
      39.0       1.8
      45.0       1.1
      48.0       5.2
      50.0       3.1
      51.0       4.0
      62.0       2.0
      63.0       6.1
      64.0      11.0
      65.0       2.4
      74.0       5.1
      75.0       7.7
      76.0       6.1
      77.0       8.4
      80.0      11.3
      81.0       1.2
      86.0       1.3
      87.0       2.7
      88.0       2.6
      89.0       5.0
      91.0       1.4
      98.0       2.3
      99.0       3.4
     100.0       2.0
     101.0       3.0
     102.0       4.3
     103.0      11.3
     104.0       2.8
     105.0       2.4
     113.0       3.6
     114.0       7.5
     115.0      36.2
     116.0       8.8
     125.0       3.9
     126.0      12.6
     127.0      15.1
     128.0       5.5
     131.0      31.6
     132.0      10.8
     133.0       2.7
     134.0       1.3
     142.0       2.2
     143.0       8.8
     144.0       6.8
     145.0       1.3
     158.0       1.7
     159.0       5.6
     160.0       5.8
     161.0       1.9
     195.0       3.7
     207.0       2.0
     208.0      35.3
     209.0       4.5
     210.0       2.0
     223.0      11.2
     224.0      18.9
     225.0       2.8
     226.0       1.1
     240.0       1.9
     288.0     100.0
     289.0      12.7
     290.0      10.8
     291.0       1.2

in D2O