10510-54-0

甲酚紫(10510-54-0)红外图谱(IR2)

分子式:C18H15N3O3

分子量: 321.34

InChI:InChI=1S/C16H11N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8,17H,18H2;1H3,(H,3,4)

InChIKey: ORIKHDNZZCTIAD-UHFFFAOYSA-N

Smiles:C12C(=CC(N)=C3C=CC=CC=13)OC1=CC(=N)C=CC1=N2.C(=O)(O)C

IR1

IR2

Mass

MS-NW-7748          
Cresyl Violet acetate
C16H11N3O C2H4O2    (Mass of molecular ion:    261)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      13.0       1.1
      14.0       1.9
      15.0       5.7
      16.0       1.4
      17.0       1.8
      18.0       1.9
      28.0       2.4
      29.0       2.9
      31.0       1.1
      39.0       4.4
      40.0       2.0
      41.0       4.6
      42.0       4.0
      43.0      19.3
      44.0       5.4
      45.0      15.2
      50.0       2.3
      51.0       2.4
      52.0       3.8
      53.0       1.4
      59.0       1.1
      60.0      10.4
      61.0       1.3
      62.0       2.4
      63.0       5.0
      64.0       2.8
      65.0       2.0
      66.0       2.8
      67.0       1.2
      68.0       1.7
      74.0       1.3
      75.0       2.0
      76.0       3.8
      77.0       1.7
      78.0       2.0
      79.0       3.8
      80.0       1.9
      85.0       1.0
      86.0       1.6
      87.0       1.7
      88.0       2.0
      89.0       2.7
      89.5       1.2
      90.0       1.3
      91.0       3.0
     101.0       2.0
     102.0       2.0
     102.5       1.3
     103.0       3.0
     104.0       2.2
     105.0       1.8
     106.0       1.1
     112.0       1.1
     113.0       2.8
     114.0       1.6
     115.0       1.8
     116.0       1.0
     117.0       9.6
     117.5       2.2
     121.0       2.0
     126.0       1.2
     127.0       1.0
     128.0       1.2
     129.0       1.5
     130.0       1.3
     130.5       2.4
     131.0       1.6
     139.0       1.5
     140.0       2.0
     147.0       1.6
     151.0       2.3
     152.0       2.2
     154.0       1.2
     177.0       1.9
     178.0       2.2
     179.0       2.9
     180.0       1.3
     189.0       1.0
     190.0       1.0
     205.0       8.5
     206.0       2.9
     232.0       2.3
     233.0       2.7
     234.0      24.0
     235.0       5.4
     260.0       8.4
     261.0     100.0
     262.0      44.2
     263.0       8.7
     264.0       1.6
     280.5       1.0

KBr disc