102-03-4

1-ACETYL-3-PHENYLUREA(102-03-4)红外图谱(IR1)

产品名称:1-ACETYL-3-PHENYLUREA

CAS:102-03-4

分子式:C9H10N2O2

分子量: 178.19

InChI:InChI=1S/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)

InChIKey: RUPVBKFFZNPEPS-UHFFFAOYSA-N

Smiles:C(NC(NC1=CC=CC=C1)=O)(=O)C

    Assign.     Shift(ppm)

      A     *1     10.7
      B     *1     10.6
      C     *1      9.9
      D             7.598
      E             7.522
      F             7.33
      G             7.293
      J             7.090
      K             7.028
      L             2.116
      M             2.055

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

       ppm   Int.  Assign.

      172.76    86      1
      169.05   127      8
      151.88    82      2
                        9
      138.19   306     10
      137.19   105      3
      129.03   357      4
      128.90  1000     11
      128.79    71      5
      124.46   184     12
      124.31   254      6
      120.52   364     13
       24.30   185     14
       24.02   137      7

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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

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