Diuron(330-54-1) IR2

Product NameDiuron

CAS 330-54-1

Molecular FormulaC9H10Cl2N2O

Molecular Weight233.09

InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

InChIKey XMTQQYYKAHVGBJ-UHFFFAOYSA-N

SmilesN(C)(C)C(NC1=CC=C(Cl)C(Cl)=C1)=O

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Diuron(330-54-1) IR2
Mass

MS-NW-1936          
3-(3,4-dichlorophenyl)-1,1-dimethylurea
C9H10Cl2N2O         (Mass of molecular ion:    232)

   Source Temperature: 190 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       5.5
      18.0       3.9
      28.0       3.2
      42.0       4.3
      43.0       1.6
      44.0      11.1
      45.0       4.3
      56.0       1.7
      61.0       1.3
      62.0       2.1
      63.0       2.0
      72.0     100.0
      73.0       4.0
      74.0       1.3
      75.0       1.1
      88.0       1.5
      97.0       1.7
     109.0       1.1
     124.0       7.3
     125.0       1.4
     126.0       2.5
     133.0       1.5
     159.0       3.4
     160.0       1.1
     161.0       3.0
     187.0      11.7
     188.0       1.1
     189.0       7.4
     191.0       1.3
     232.0      16.5
     233.0       1.9
     234.0      10.5
     235.0       1.0
     236.0       1.8

90 MHz in CDCl3

Diuron(330-54-1) IR2

¹H NMR	89.56 MHz
C₉ H₁₀ Cl₂ N₂ O	0.046 g : 0.5 ml CDCl₃
3-(3,4-dichlorophenyl)-1,1-dimethylurea

    Assign.     Shift(ppm)

      A             7.59
      B             7.28
      C             7.22
      D             6.45
      E             3.015

     Hz     ppm     Int.

    680.94   7.604    111
    680.15   7.595    119
    679.36   7.586    121
    650.79   7.267    277
    647.86   7.234    140
    270.01   3.015   1000

in CDCl3