SECOBARBITAL(76-73-3) IR1

Product NameSECOBARBITAL

CAS 76-73-3

Molecular FormulaC12H18N2O3

Molecular Weight238.28

InChIInChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

InChIKey KQPKPCNLIDLUMF-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)C(C(C)CCC)(CC=C)C(=O)N1

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¹HNMR

IR1

Raman

    Assign.     Shift(ppm)

      A            11.50
      B             5.523
      C             5.08
      D             5.06
      E     *1      2.62
      F     *1      2.59
      G             2.030
      J             1.39
      K             1.09
      L             0.945
      M             0.833

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

Spectral Code: IR : nujol mull

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

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