602-60-8

9-硝基蒽(602-60-8)质谱(MS)

产品名称:9-硝基蒽

CAS:602-60-8

分子式:C14H9NO2

分子量: 223.23

InChI:InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

InChIKey: LSIKFJXEYJIZNB-UHFFFAOYSA-N

Smiles:C1=C2C(C=C3C(=C2[N+]([O-])=O)C=CC=C3)=CC=C1

Mass

MS-NW-7167          
9-nitroanthracene
C14H9NO2            (Mass of molecular ion:    223)

   Source Temperature: 190 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.7
      28.0       1.2
      30.0       1.9
      39.0       2.6
      50.0       3.2
      51.0       3.6
      61.0       1.1
      62.0       3.9
      63.0       5.4
      69.5       2.5
      74.0       5.8
      75.0      12.8
      75.5       2.5
      76.0       4.2
      77.0       2.1
      81.5       2.1
      82.0       2.1
      82.5       6.4
      83.0       1.1
      83.5       1.9
      86.0       2.9
      87.0       7.5
      87.5       3.1
      88.0      34.4
      88.5       9.8
      89.0       3.0
      89.5       1.4
      98.0       4.1
      99.0       3.0
     100.0       1.5
     101.0       1.3
     110.0       1.4
     111.0       1.6
     111.5       3.5
     112.0       1.0
     113.0       1.2
     115.0       2.0
     122.0       1.2
     123.0       1.2
     125.0       1.6
     126.0       3.2
     127.0       1.6
     137.0       1.1
     139.0       3.8
     140.0       2.1
     149.0       2.7
     150.0      13.7
     151.0      22.7
     152.0       5.5
     153.0       2.1
     162.0       1.0
     163.0       7.7
     164.0       7.8
     165.0      47.5
     166.0      11.1
     167.0      14.6
     168.0       2.8
     174.0       6.3
     175.0       9.4
     176.0      62.3
     177.0      58.4
     178.0      15.1
     179.0       5.7
     180.0       1.8
     181.0       1.0
     190.0       1.7
     193.0      39.8
     194.0       8.8
     195.0       8.9
     196.0       1.3
     206.0       2.2
     207.0       2.5
     208.0       1.2
     222.0       2.6
     223.0     100.0
     224.0      16.1
     225.0       1.8
     257.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₉ N O₂	0.035 g : 0.5 ml CDCl₃
9-nitroanthracene

    Assign.     Shift(ppm)

      A             8.494
      B             7.968
      C             7.896
      D             7.587
      E             7.488
     
     J(B,D)=8.5HZ
     J(C,E)=8.8HZ

     Hz     ppm     Int.

   3394.78   8.495    883
   3387.45   8.477     51
   3189.09   7.980    879
   3180.54   7.959    976
   3171.88   7.937     53
   3169.56   7.931     47
   3168.82   7.929     47
   3167.24   7.926     55
   3160.28   7.908    866
   3151.49   7.886   1000
   3143.31   7.866     52
   3140.63   7.859     38
   3140.01   7.857     37
   3138.43   7.853     34
   3138.06   7.853     33
   3133.18   7.840     30
   3040.16   7.608    498
   3033.20   7.590    744
   3024.66   7.569    575
   3017.09   7.550     41
   3016.24   7.548     37
   3015.38   7.546     35
   3014.40   7.543     34
   3014.04   7.542     33
   3013.67   7.541     32
   3012.57   7.539     31
   3012.33   7.538     31
   3011.72   7.536     31
   3011.11   7.535     31
   3010.86   7.534     31
   3010.13   7.532     30
   3009.16   7.530     32
   3008.18   7.528     34
   3007.81   7.527     35
   2999.63   7.506    652
   2991.94   7.487    774
   2984.50   7.468    456
   2977.17   7.450     30

in CDCl3