Product Name(P-ETHYLPHENYL)PHOSPHONICACID

CAS

Molecular FormulaC8H11O3P

Molecular Weight186.144901

InChIInChI=1S/C8H11O3P/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

InChIKey CRPRCSYCZWFVED-UHFFFAOYSA-N

SmilesC1(P(O)(O)=O)=CC=C(CC)C=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             9.9
      B             7.602
      C             7.290
      D             2.627
      E             1.175

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

       ppm   Int.  Assign.

      146.89   309  P   1
      146.76   317  P   1
      135.02   230  P   2
      130.80   813  P   3
      130.36   895  P   3
      127.69  1000  P   4
      127.04   961  P   4
      126.82   255  P   2
       28.09   664  P   5
       28.04   729  P   5
       15.22   809      6

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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