MEPHOBARBITAL(115-38-8) ¹³C NMR

Product NameMEPHOBARBITAL

CAS 115-38-8

Molecular FormulaC13H14N2O3

Molecular Weight246.26

InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)

InChIKey ALARQZQTBTVLJV-UHFFFAOYSA-N

SmilesC1(=O)N(C)C(=O)C(CC)(C2=CC=CC=C2)C(=O)N1

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    Assign.     Shift(ppm)

      A            11.93
      B             7.38
      C             7.35
      D             7.31
      E             3.194
      F     *1      2.35
      G     *1      2.32
      J             0.859
     
     J(F,G)=-13.2Hz
     J(E,J)=J(F,J)=7.2Hz

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

       ppm   Int.  Assign.

      170.87   279      1 *
      170.28   468      2 *
      150.08   388      3
      138.48   398      4
      128.92  1000      5
      128.12   378      6
      126.11   955      7
       60.33   433      8
       29.10   209      9
       27.64   179     10
        9.60   299     11

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

Spectral Code: Raman : 4880 A,200 M,powder

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MEPHOBARBITAL(115-38-8) 13C NMR

MEPHOBARBITAL(115-38-8) ¹³C NMR