605-69-6

馬休黃(605-69-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:馬休黃

CAS:605-69-6

分子式:C10H6N2O5

分子量: 234.16

InChI:InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H

InChIKey: FFRBMBIXVSCUFS-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C=CC=C2)=C([N+]([O-])=O)C=C1[N+]([O-])=O

Mass

MS-NW-0348          
2,4-dinitro-1-naphthol
C10H6N2O5           (Mass of molecular ion:    234)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.5
      27.0       1.3
      28.0       2.8
      30.0       8.6
      38.0       1.4
      39.0       6.6
      41.0       1.7
      43.0       1.8
      44.0       1.4
      50.0       4.9
      51.0       6.3
      52.0       1.4
      53.0       4.8
      55.0       1.6
      57.0       1.4
      61.0       1.9
      62.0       6.2
      63.0      15.9
      64.0       2.8
      65.0       1.4
      69.0       1.1
      74.0       6.0
      75.0      10.0
      76.0       6.8
      77.0       3.3
      78.0       1.1
      85.0       1.3
      86.0       5.9
      87.0       8.1
      88.0      11.0
      89.0       4.6
      90.0       1.7
      98.0       1.8
      99.0       1.2
     100.0       1.9
     101.0      16.4
     102.0      11.2
     103.0       4.1
     104.0       3.1
     105.0       3.2
     110.0       1.2
     111.0       1.1
     112.0       1.4
     113.0      33.2
     114.0      20.0
     115.0       6.4
     116.0       1.5
     117.0       1.1
     118.0       1.2
     127.0       2.5
     128.0       1.2
     129.0      16.7
     130.0       6.6
     131.0       2.0
     132.0       1.2
     141.0      24.8
     142.0      14.4
     143.0       4.1
     144.0       1.2
     145.0       1.2
     146.0       1.2
     157.0      18.5
     158.0       5.7
     159.0       3.9
     160.0       1.0
     171.0       3.0
     172.0       2.3
     187.0      22.8
     188.0       4.8
     189.0       2.5
     202.0       1.2
     204.0       4.7
     206.0       2.5
     217.0      19.2
     218.0       5.2
     234.0     100.0
     235.0      11.9
     236.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₆ N₂ O₅	0.041 g : 0.5 ml CDCl₃
2,4-dinitro-1-naphthol

    Assign.     Shift(ppm)

      A             8.914
      B     *1      8.67
      C     *1      8.62
      D     *2      7.93
      E     *2      7.77

     Hz     ppm     Int.

    798.44   8.916   1000
    795.75   8.886     51
    795.44   8.882     51
    782.31   8.736    189
    781.63   8.728    250
    780.38   8.714    283
    778.00   8.687    272
    777.31   8.680    240
    776.44   8.670    207
    775.38   8.658    325
    774.06   8.643    325
    773.00   8.632    264
    772.44   8.625    286
    771.75   8.618    352
    769.75   8.595    350
    769.44   8.592    333
    768.13   8.577    382
    767.44   8.570    280
    719.13   8.030    181
    717.56   8.013    217
    712.13   7.952    427
    710.44   7.933    373
    708.94   7.916    154
    703.94   7.860    399
    702.00   7.839    596
    700.31   7.820    346
    695.00   7.761    135
    693.75   7.747    266
    692.44   7.732    249
    686.69   7.668    115
    685.56   7.655    106

in CDCl3