2-Ethyl-5-phenylisoxazolium-3'-sulfonate(4156-16-5) IR1

Product Name2-Ethyl-5-phenylisoxazolium-3'-sulfonate

CAS 4156-16-5

Molecular FormulaC11H11NO4S

Molecular Weight253.27

InChIInChI=1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3

InChIKey MWOOKDULMBMMPN-UHFFFAOYSA-N

SmilesC1(C=CC=C(S([O-])(=O)=O)C=1)C1=CC=[N+](CC)O1

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¹HNMR

IR1

Raman

    Assign.     Shift(ppm)

      A             9.422
      B             8.205
      C     *1      8.018
      D     *1      7.997
      E             7.704
      F             7.491
      G             4.838
      J             1.750

Spectral Code: 1H NMR : 400 MHz in D2O

Spectral Code: IR : nujol mull

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