71119-23-8

MES sodium salt(71119-23-8) IR1

Product NameMES sodium salt

CAS 71119-23-8

Molecular FormulaC6H14NNaO4S

Molecular Weight219.23

InChIInChI=1S/C6H13NO4S.Na/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);/q;+1/p-1

InChIKey IRHWMYKYLWNHTL-UHFFFAOYSA-M

SmilesS([O-])(=O)(=O)CCN1CCOCC1.[Na+]

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¹HNMR

¹³CNMR

IR1

MES sodium salt(71119-23-8) IR1

    Assign.     Shift(ppm)

      A             3.549
      B             2.641
      C             2.577
      D             2.332
     
     ASSIGNED BY C-H COSY.

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

MES sodium salt(71119-23-8) IR1

       ppm   Int.  Assign.

       66.10   976      1
       54.40   491      2
       53.16  1000      3
       48.52   427      4

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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