2844-15-7

4-二甲氨基-4’-硝基芪(2844-15-7)核磁图(¹HNMR)

产品名称:4-二甲氨基-4’-硝基芪

CAS:2844-15-7

分子式:C16H16N2O2

分子量: 268.31

InChI:InChI=1S/C16H16N2O2/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(19)20/h3-12H,1-2H3/b4-3+

InChIKey: NVLSIZITFJRWPY-ONEGZZNKSA-N

Smiles:C1(N(C)C)=CC=C(/C=C/C2=CC=C([N+]([O-])=O)C=C2)C=C1

Mass

MS-IW-6152          
trans-N,N-dimethyl-4'-nitro-4-stilbenamine
C16H16N2O2          (Mass of molecular ion:    268)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.0
      42.0       2.1
      76.0       1.5
      88.0       1.0
      89.0       1.9
     102.0       1.4
     102.5       1.7
     110.0       1.5
     110.5       3.7
     111.0       1.4
     134.0       1.5
     151.0       1.2
     152.0       1.8
     165.0       4.0
     166.0       1.9
     176.0       2.2
     177.0       2.6
     178.0      11.3
     179.0       5.6
     180.0       1.1
     191.0       1.2
     192.0       1.7
     204.0       1.0
     205.0       1.4
     206.0       3.5
     207.0       8.9
     208.0       2.0
     220.0       3.4
     221.0       5.4
     222.0      17.1
     223.0       3.3
     238.0       3.6
     252.0       1.0
     263.0       1.1
     267.0      13.0
     268.0     100.0
     269.0      17.9
     270.0       2.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₁₆ N₂ O₂	0.016 g : 0.5 ml CDCl₃
trans-N,N-dimethyl-4'-nitro-4-stilbenamine

    Assign.     Shift(ppm)

      A             8.158
      B             7.53
      C             7.43
      D     *1      7.18
      E     *1      6.92
      F             6.711
      G             3.004
     
     J(D,E)=16.1HZ

     Hz     ppm     Int.

    735.38   8.212     90
    733.50   8.191     37
    728.38   8.133     44
    726.50   8.112    122
    679.38   7.586    113
    677.50   7.565     46
    672.31   7.507     48
    670.13   7.483    117
    667.75   7.456     43
    662.75   7.401     41
    660.88   7.380    102
    654.19   7.305     35
    638.00   7.124     82
    624.75   6.976     79
    608.56   6.795     31
    608.25   6.792     32
    604.94   6.755    101
    602.75   6.731     36
    598.13   6.679     32
    595.88   6.654     75
    273.38   3.053     32
    269.06   3.005   1000

¹H NMR	399.65 MHz
C₁₆ H₁₆ N₂ O₂	saturated in CDCl₃
trans-N,N-dimethyl-4'-nitro-4-stilbenamine

    Assign.     Shift(ppm)

      A             8.182
      B             7.565
      C             7.450
      D             7.213
      E             6.933
      F             6.719
      G             3.023

     Hz     ppm     Int.

   3274.54   8.194    102
   3272.71   8.189     42
   3267.46   8.176     39
   3265.63   8.172    112
   3027.95   7.577     99
   3026.00   7.572     42
   3019.04   7.555     96
   2982.18   7.462     89
   2980.35   7.458     38
   2974.98   7.444     36
   2973.39   7.440     96
   2891.97   7.237     46
   2875.73   7.196     59
   2778.08   6.952     59
   2761.72   6.911     46
   2689.70   6.731     98
   2687.99   6.726     40
   2682.86   6.714     35
   2680.79   6.708     92
   1208.13   3.023   1000

in CDCl3

in DMSO-d6