81-55-0

1,8-二羟基-4,5-二硝基蒽醌(81-55-0)核磁图(¹HNMR)

产品名称:1,8-二羟基-4,5-二硝基蒽醌

CAS:81-55-0

分子式:C14H6N2O8

分子量: 330.21

InChI:InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H

InChIKey: GJCHQJDEYFYWER-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS2001-00052WA      
1,8-dihydroxy-4,5-dinitroanthraquinone
C14H6N2O8           (Mass of molecular ion:    330)

   Source Temperature: 205 °C
   Sample Temperature: 120 °C
   Direct, 70 eV

      30.0       3.8
      51.0       1.6
      53.0       2.0
      55.0       1.0
      62.0       3.4
      63.0       5.5
      64.0       1.1
      74.0       3.0
      75.0       3.7
      76.0       3.1
      77.0       1.5
      78.0       1.1
      79.0       2.3
      80.0       2.3
      86.0       2.4
      87.0       3.2
      88.0       2.6
      90.0       1.8
      91.0       4.3
      92.0       2.0
      96.0       1.2
      98.0       2.6
      99.0       3.6
     100.0       3.1
     101.0       1.1
     102.0       1.1
     104.0       2.3
     106.0       4.1
     107.0       1.3
     110.0       2.1
     111.0       1.3
     113.0       3.3
     114.0       6.8
     115.0       1.0
     116.0       1.8
     119.0       1.6
     120.0       2.1
     122.0       2.6
     123.0       3.5
     124.0       2.2
     125.0       2.8
     126.0      13.3
     127.0       1.9
     128.0       1.0
     130.0       1.2
     132.0       2.5
     133.0       1.2
     134.0       1.3
     135.0       2.1
     136.0       2.8
     142.0      15.0
     143.0       2.0
     144.0       2.7
     150.0       1.6
     151.0       2.2
     152.0       1.1
     153.0       2.3
     154.0       3.8
     156.0       1.0
     158.0       2.2
     164.0       1.7
     165.0       1.0
     166.0       1.0
     169.0       2.5
     170.0       8.9
     171.0       1.5
     172.0       2.6
     176.0       4.3
     181.0       1.7
     182.0       3.7
     186.0       9.1
     187.0       1.3
     188.0       2.5
     197.0       1.6
     198.0      13.7
     199.0       2.3
     200.0       2.6
     210.0       2.1
     214.0       7.5
     215.0       1.2
     216.0       1.3
     218.0       1.4
     226.0       4.0
     227.0       3.6
     228.0       6.0
     229.0       1.1
     232.0       1.7
     239.0       1.2
     240.0       1.4
     242.0       2.5
     246.0       1.0
     254.0       6.1
     255.0       4.2
     256.0       2.9
     300.0       6.7
     301.0       1.3
     314.0       1.5
     330.0     100.0
     331.0      15.7
     332.0       2.8