27402-47-7

Benzalbarbituric acid(27402-47-7) IR1

Product NameBenzalbarbituric acid

CAS 27402-47-7

Molecular FormulaC11H8N2O3

Molecular Weight216.19

InChIInChI=1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)

InChIKey CMWDWOZYVQQAMI-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)/C(=C\C2=CC=CC=C2)/C(=O)N1

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¹HNMR

¹³CNMR

IR1

Benzalbarbituric acid(27402-47-7) IR1

    Assign.     Shift(ppm)

      A     *1     11.4
      B     *1     11.3
      C             8.305
      D             8.094
      E             7.542
      F             7.481

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

Benzalbarbituric acid(27402-47-7) IR1

       ppm   Int.  Assign.

      163.63   415      1
      161.74   408      2
      155.22   360      3
      150.44   468      4
      133.28   971      5
      132.75   427      6
      132.49   339      7
      128.26  1000      8
      119.08   422      9

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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