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Back ChemicalBook Home>CAS DataBase List>2978-11-2More Spectrum> O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

2978-11-2

O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

Molecular FormulaC14H21N3O3

Molecular Weight279.33

InChIInChI=1S/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)

InChIKey FYDMCLCYYCIDMZ-UHFFFAOYSA-N

SmilesC(=NC(C)C)(OCC1=CC=C([N+]([O-])=O)C=C1)NC(C)C

  • O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1
    Mass

    MS-NW-7046          
    1,3-diisopropyl-2-(p-nitrobenzyl)isourea
    C14H21N3O3          (Mass of molecular ion:    279)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.3
          18.0       3.5
          27.0       4.3
          28.0       2.9
          30.0       9.0
          39.0       3.7
          40.0       1.0
          41.0       7.1
          42.0       5.7
          43.0      20.9
          44.0      26.5
          45.0       1.4
          50.0       1.7
          51.0       3.1
          52.0       1.1
          56.0       1.6
          57.0       2.7
          58.0     100.0
          59.0       3.9
          63.0       3.7
          64.0       1.7
          65.0       1.3
          69.0       6.3
          70.0       4.0
          71.0       1.9
          75.0       1.3
          76.0       2.3
          77.0       4.7
          78.0      10.2
          79.0       1.2
          83.0       1.0
          84.0       1.5
          85.0       4.7
          86.0       3.2
          87.0       1.3
          89.0      11.4
          90.0       9.8
          91.0       2.1
          92.0       1.1
         101.0       2.0
         104.0       2.2
         105.0       2.2
         106.0       8.8
         107.0       3.6
         111.0       1.0
         113.0       1.2
         120.0       2.2
         121.0       1.2
         129.0       1.5
         133.0       1.6
         135.0       1.7
         136.0      18.0
         137.0       3.7
         143.0       5.9
         144.0       4.8
         150.0      10.3
         151.0       3.7
         152.0       1.3
         153.0       1.7
         179.0      22.8
         180.0       3.0
         186.0       1.5
         193.0       2.1
         264.0       2.1
         279.0       3.5
         302.0       1.4
    

90 MHz in CDCl3

  • O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

    1H NMR 89.56 MHz
    C14 H21 N3 O3 0.044 g : 0.5 ml CDCl3
    1,3-diisopropyl-2-(p-nitrobenzyl)isourea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.193 B 7.54 C 5.217 D 3.83 E 3.18 F *1 1.16 G *1 1.08

         Hz     ppm     Int.
    

        741.00   8.274     31
        738.81   8.250    150
        736.81   8.228     62
        732.06   8.174     65
        729.94   8.151    195
        727.81   8.127     37
        727.69   8.126     37
        680.88   7.603     34
        678.69   7.579    165
        678.00   7.571    115
        676.69   7.556     57
        675.75   7.546     36
        671.81   7.502     51
        670.38   7.486     96
        669.69   7.478    123
        467.31   5.218    284
        286.13   3.195     42
        279.81   3.125     34
        107.06   1.196    527
        105.00   1.173    248
        100.69   1.125   1000
         98.56   1.101    290
         96.94   1.083    155
         94.50   1.056    512
         88.31   0.987     35
         87.94   0.982     34
         87.31   0.975     33
    

in CDCl3

  • O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

KBr disc

  • O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

nujol mull

  • O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1

O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA(2978-11-2) IR1 Atlas of Related Products

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