1,3-二苯脲(102-07-8)紅外圖譜(IR2)

產(chǎn)品名稱:1,3-二苯脲

CAS:102-07-8

分子式:C13H12N2O

分子量: 212.25

InChI:InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

InChIKey: GWEHVDNNLFDJLR-UHFFFAOYSA-N

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

Mass

MS-NW-0416          
1,3-diphenylurea
C13H12N2O           (Mass of molecular ion:    212)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.9
      28.0       3.0
      37.0       1.4
      38.0       3.0
      39.0       7.1
      40.0       1.7
      41.0       2.1
      46.5       1.1
      50.0       2.0
      51.0       4.7
      52.0       1.9
      54.0       1.1
      62.0       1.1
      63.0       3.4
      64.0       6.7
      65.0      10.8
      66.0      12.5
      67.0       1.3
      77.0       6.6
      78.0       1.0
      91.0      10.6
      92.0       8.0
      93.0     100.0
      94.0       7.1
     119.0      24.2
     120.0       2.6
     212.0      16.8
     213.0       2.5

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₃ H₁₂ N₂ O	0.038 g : 0.5 ml DMSO-d₆
1,3-diphenylurea

    Assign.     Shift(ppm)

      A             8.63
      B             7.46
      C             7.29
      D             6.980

     Hz     ppm     Int.

    772.75   8.629    426
    680.38   7.597     31
    680.00   7.593     30
    679.25   7.585     31
    674.94   7.537    318
    673.31   7.518    528
    671.13   7.494    152
    669.94   7.481     52
    668.13   7.461    248
    667.13   7.449    458
    666.06   7.438   1000
    664.88   7.424    852
    662.50   7.398    165
    659.81   7.368    474
    659.13   7.360    644
    656.88   7.335    163
    654.31   7.306    166
    652.75   7.289    643
    652.00   7.281    794
    650.19   7.260    307
    648.50   7.241     53
    647.50   7.230     43
    645.81   7.211    198
    644.13   7.193    387
    641.75   7.166     59
    638.44   7.129     30
    637.69   7.121     34
    637.38   7.117     34
    631.69   7.054    230
    630.19   7.037    432
    628.50   7.018    232
    627.25   7.004     32
    625.56   6.985    153
    623.81   6.966    334
    623.19   6.959    365
    621.50   6.940     57
    620.69   6.931    112
    617.63   6.897     98
    616.25   6.881    154
    614.75   6.865     81

in DMSO-d6