56-29-1

HEXOBARBITAL(56-29-1) Raman

Product NameHEXOBARBITAL

CAS 56-29-1

Molecular FormulaC12H16N2O3

Molecular Weight236.27

InChIInChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)

InChIKey UYXAWHWODHRRMR-UHFFFAOYSA-N

SmilesC1(=O)N(C)C(=O)C(C2CCCCC=2)(C)C(=O)N1

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HEXOBARBITAL(56-29-1) Raman

    Assign.     Shift(ppm)

      A             9.02
      B             5.746
      C             3.294
      D     *1      2.07
      E     *1      1.93
      F             1.615
      G             1.58

Spectral Code: 1H NMR : 90 MHz in CDCl3

HEXOBARBITAL(56-29-1) Raman

       ppm   Int.  Assign.

      171.83   855      1 *
      171.18   790      2 *
      150.66   795      3
      134.79   970      4
      126.38   945      5
       57.41  1000      6
       28.15   485      7
       25.49   785      8 #
       25.04   800      9 #
       22.71   830     10 #
       21.51   715     11 #
       19.58   525     12

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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

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