52-43-7

ALLOBARBITAL(52-43-7) Raman

Product NameALLOBARBITAL

CAS 52-43-7

Molecular FormulaC10H12N2O3

Molecular Weight208.21

InChIInChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)

InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N

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

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ALLOBARBITAL(52-43-7) Raman

    Assign.     Shift(ppm)

      A            11.52
      B             5.567
      C             5.10
      D             5.08
      E             2.562
     
     J(B,C)=10.3HZ
     J(B,D)=16.9HZ
     J(B,E)=7.3HZ

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

ALLOBARBITAL(52-43-7) Raman

       ppm   Int.  Assign.

      171.81   582      1
      149.57   401      2
      131.25  1000      3
      119.91   934      4
       54.97   484      5
       41.38   896      6

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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

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