606-37-1

1,3-二硝基萘(606-37-1)质谱(MS)

产品名称:1,3-二硝基萘

CAS:606-37-1

分子式:C10H6N2O4

分子量: 218.17

InChI:InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H

InChIKey: ULALSFRIGPMWRS-UHFFFAOYSA-N

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

Mass

MS-NW-8229          
1,3-dinitronaphthalene
C10H6N2O4           (Mass of molecular ion:    218)

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

      18.0       2.0
      28.0       3.7
      30.0      13.3
      39.0       4.5
      43.0       2.8
      50.0       9.0
      51.0       6.1
      52.0       2.9
      61.0       1.6
      62.0       5.0
      63.0      11.5
      64.0       2.3
      74.0      14.9
      75.0      15.2
      76.0      20.7
      77.0       4.9
      86.0       4.5
      87.0       8.6
      88.0       8.7
      89.0      12.6
      90.0       1.8
      95.0       6.0
      98.0       5.9
      99.0       8.2
     100.0       8.3
     101.0       5.4
     102.0      15.2
     103.0       1.5
     104.0       1.1
     105.0       2.1
     113.0      17.9
     114.0      48.7
     115.0       6.3
     116.0       6.4
     117.0       1.0
     122.0       1.4
     125.0      33.4
     126.0     100.0
     127.0      14.6
     128.0       3.5
     129.0       1.8
     130.0       9.2
     131.0       1.0
     140.0       1.3
     141.0      12.7
     142.0      14.6
     143.0       2.4
     144.0       4.8
     157.0       1.3
     158.0       1.2
     160.0       7.8
     161.0       1.1
     171.0      27.3
     172.0      24.1
     173.0       2.9
     188.0       4.0
     190.0       7.6
     201.0      63.7
     202.0       9.0
     203.0       1.0
     218.0      91.2
     219.0      10.8
     220.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₆ N₂ O₄	0.046 g : 0.5 ml CDCl₃
1,3-dinitronaphthalene

    Assign.     Shift(ppm)

      A             9.036
      B             8.926
      C             8.60
      D             8.19
      E     *1      7.96
      F     *1      7.84
     
     J(A,B)=2.2HZ.

     Hz     ppm     Int.

    813.25   9.081     40
    810.81   9.054    392
    810.31   9.048    401
    808.56   9.029    601
    808.00   9.022    582
    804.44   8.983     35
    803.88   8.976     33
    802.75   8.964     47
    800.31   8.937   1000
    798.06   8.911    702
    776.19   8.667    138
    775.50   8.660    253
    774.06   8.643    294
    773.19   8.634    277
    768.63   8.583    151
    767.06   8.565    228
    766.25   8.556    354
    765.63   8.549    381
    764.81   8.540    233
    739.69   8.260    221
    739.19   8.254    191
    738.56   8.247    203
    738.06   8.241    196
    737.06   8.230    176
    736.56   8.225    164
    735.13   8.209     41
    732.13   8.175    435
    730.13   8.153    394
    727.00   8.118     38
    726.44   8.112     39
    725.94   8.106     42
    725.56   8.102     42
    725.19   8.098     39
    724.31   8.088     60
    723.50   8.079     37
    723.00   8.073     38
    721.63   8.058    189
    719.81   8.038    310
    717.25   8.009     37
    716.06   7.996     47
    714.69   7.981    588
    712.88   7.960    428
    711.38   7.944    199
    708.25   7.909    491
    707.00   7.895    650
    706.06   7.884    620
    704.44   7.866    432
    701.31   7.831    204
    700.50   7.822    291
    699.00   7.805    353
    693.50   7.744    118
    692.06   7.728     96

in CDCl3