DIETHYLSTILBESTROL DISODIUM SALT(63528-82-5) ¹H NMR

Product NameDIETHYLSTILBESTROL DISODIUM SALT

Molecular FormulaC18H18Na2O2

Molecular Weight312.31

InChIInChI=1S/C18H20O2.2Na/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;;/h5-12,19-20H,3-4H2,1-2H3;;/q;2*+1/p-2/b18-17+;;

InChIKey IEUYBHJGPUETDA-QIKYXUGXSA-L

SmilesC(/CC)(\C1C=CC([O-])=CC=1)=C(\CC)/C1C=CC([O-])=CC=1.[Na+].[Na+]

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400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₈ Na₂ O₂	saturated in DMSO-d₆
3,4-bis(p-hydroxyphenyl)-3-hexene disodium salt

    Assign.     Shift(ppm)

      A             6.960
      B             6.764
      C             2.074
      D             0.712

     Hz     ppm     Int.

   2786.62   6.973    570
   2778.08   6.952    713
   2707.28   6.775    685
   2698.73   6.753    595
    840.33   2.103    105
    833.01   2.085    317
    825.68   2.067    332
    818.36   2.048    124
    291.99   0.731    458
    284.67   0.713   1000
    277.22   0.694    457

DMSO-d6

KBr disc

nujol mull

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DIETHYLSTILBESTROL DISODIUM SALT(63528-82-5) ¹H NMR