10127-02-3

碱性橙 14(10127-02-3)红外图谱(IR2)

分子式:C17H20Cl3N3Zn

分子量: 438.1

InChI:InChI=1S/2C17H19N3.4ClH.Zn/c2*1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;;;;;/h2*5-11H,1-4H3;4*1H;/q;;;;;;+2/p-2

InChIKey: RAHGLSRJKRXOSY-UHFFFAOYSA-L

Smiles:C12C=C(N(C)C)C=CC=1C=C1C=CC(N(C)C)=CC1=N2.C12C=C(C=CC=1C=C1C=CC(N(C)C)=CC1=N2)N(C)C.[Zn](Cl)Cl.Cl.Cl

¹³CNMR

IR1

IR2

Mass

MS-NW-7514          
Acridine Orange
C17H19N3 HCl 1/2Cl2Zn(Mass of molecular ion:    265)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       1.4
      35.0       2.2
      36.0      13.8
      38.0       4.3
      42.0       2.6
      44.0       1.2
      63.0       1.1
      75.0       1.3
      76.0       1.0
      88.5       1.4
      89.0       1.6
      89.5       1.0
      96.0       1.4
      96.5       1.2
      97.0       1.0
     102.0       2.2
     102.5       1.7
     103.0       3.2
     104.0       2.5
     110.0       7.5
     110.5       3.3
     111.0       1.9
     116.5       1.9
     117.0       1.6
     117.5       1.0
     123.5       4.0
     124.0       2.8
     124.5       5.9
     125.0       2.7
     125.5       1.2
     131.5      11.1
     132.0       8.0
     132.5       8.9
     133.0       1.8
     140.0       1.1
     150.0       1.0
     151.0       1.8
     152.0       1.3
     164.0       2.0
     165.0       1.7
     166.0       2.6
     167.0       1.1
     176.0       1.0
     177.0       4.9
     178.0       4.0
     179.0       3.8
     180.0       2.2
     191.0       1.3
     192.0       1.4
     193.0       2.9
     194.0       1.9
     195.0       1.2
     205.0       2.7
     206.0       4.1
     207.0       4.7
     208.0       3.3
     209.0       6.7
     210.0       1.4
     219.0       2.0
     220.0       2.2
     221.0       7.0
     222.0      10.3
     223.0       8.3
     224.0       1.6
     233.0       1.5
     234.0       5.6
     235.0       3.8
     236.0       6.2
     237.0       3.0
     238.0       1.9
     248.0       5.2
     249.0       5.5
     250.0      20.0
     251.0      14.1
     252.0       2.7
     263.0       1.2
     264.0      19.0
     265.0     100.0
     266.0      20.4
     267.0       2.3
     281.0       1.0

DMSO-d6