70086-60-1

Quinoline-8-sulfonic acid sodium salt(70086-60-1) IR1

Product NameQuinoline-8-sulfonic acid sodium salt

CAS 70086-60-1

Molecular FormulaC9H7NO3S.Na

Molecular Weight232.21

InChIInChI=1S/C9H7NO3S.Na/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1

InChIKey MVSFBDVHKAFARZ-UHFFFAOYSA-M

SmilesC12=NC=CC=C1C=CC=C2S([O-])(=O)=O.[Na+]

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¹HNMR

¹³CNMR

IR1

Quinoline-8-sulfonic acid sodium salt(70086-60-1) IR1

    Assign.     Shift(ppm)

      A             9.032
      B             8.438
      C             8.267
      D             8.045
      E             7.609
      F             7.596
     
     J(A,F)=4.3HZ
     J(A,B)=1.8HZ
     J(B,F)=8.4HZ
     J(C,E)=8.7HZ
     J(C,D)=1.5HZ
     J(D,E)=8.2HZ

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

Quinoline-8-sulfonic acid sodium salt(70086-60-1) IR1

       ppm   Int.  Assign.

      150.90   886      1
      143.48   586      2 *
      142.52   774      3 *
      136.84   892      4
      130.41   923      5
      128.57  1000      6
      128.36   748      7
      125.37   962      8
      121.14   990      9

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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