81-93-6

奎诺二甲基酯(81-93-6)红外图谱(IR2)

产品名称:奎诺二甲基酯

CAS:81-93-6

分子式:C18H15ClN4

分子量: 322.8

InChI:InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H

InChIKey: SOUHUMACVWVDME-UHFFFAOYSA-N

Smiles:[N+]1(C2C=CC=CC=2)C2=CC(=CC=C2N=C2C=CC(N)=CC=12)N.[Cl-]

IR1

IR2

Mass

MS-NW-0724          
phenosafranine
C18H15ClN4          (Mass of molecular ion:    322)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      16.0       5.5
      17.0       6.6
      18.0      13.4
      26.0       4.8
      27.0      13.9
      28.0      34.6
      29.0       1.9
      32.0       3.0
      35.0       6.6
      36.0      45.0
      37.0       2.1
      38.0      14.4
      39.0       8.7
      40.0       1.7
      41.0       7.5
      42.0       2.1
      43.0       3.9
      44.0       4.2
      50.0       4.3
      51.0       9.8
      52.0       6.6
      53.0       2.3
      54.0       2.2
      55.0       3.9
      56.0       2.0
      57.0       3.8
      62.0       1.8
      63.0       5.6
      64.0       3.7
      65.0       5.6
      66.0       3.4
      67.0       2.7
      68.0       1.5
      69.0       2.6
      70.0       1.5
      71.0       2.0
      74.0       1.3
      75.0       1.7
      76.0       2.5
      77.0      10.8
      78.0      17.3
      79.0       3.6
      80.0       1.9
      81.0       2.1
      82.0       1.4
      83.0       2.2
      84.0       1.1
      85.0       1.4
      88.0       1.0
      89.0       2.1
      90.0       3.5
      91.0       4.8
      91.5       1.4
      92.0       6.5
      93.0       7.3
      94.0       1.2
      95.0       1.4
      96.0       1.2
      97.0       1.8
      98.0       1.6
     101.0       1.2
     102.0       1.9
     103.0       1.8
     104.0       2.0
     105.0       3.8
     105.5       1.1
     106.0       1.3
     107.0       1.5
     108.0       2.5
     109.0       1.0
     111.0       1.1
     114.0       1.2
     115.0       3.2
     115.5       1.0
     116.0       2.0
     117.0       2.8
     118.0       1.3
     121.0       1.2
     127.0       1.4
     128.0       2.4
     128.5       2.6
     129.0       5.0
     129.5       2.5
     130.0       1.6
     131.0       1.0
     134.0       1.0
     134.5       1.6
     135.0       2.4
     135.5       2.0
     136.0       1.0
     136.5       1.5
     139.0       1.1
     140.0       1.8
     141.0       1.2
     142.0       2.3
     142.5       5.7
     143.0      10.4
     143.5       6.4
     144.0      12.5
     144.5       2.3
     152.0       1.1
     153.0       1.0
     154.0       1.2
     155.0       4.0
     156.0       1.9
     157.0       1.0
     166.0       1.5
     167.0       2.2
     168.0       3.6
     169.0       1.5
     179.0       1.4
     180.0       1.8
     181.0       2.1
     182.0       7.9
     183.0      12.5
     184.0       4.1
     192.0       1.1
     193.0       1.1
     194.0       2.8
     195.0       5.3
     196.0      10.8
     197.0       2.0
     205.0       1.1
     208.0       1.4
     209.0       2.7
     210.0      27.4
     211.0      57.3
     212.0       8.9
     213.0       1.0
     229.0       1.4
     230.0       1.0
     231.0       1.9
     232.0       1.0
     241.0       1.2
     242.0       2.6
     243.0       4.1
     244.0       1.7
     245.0       1.0
     255.0       1.0
     256.0       1.5
     257.0       4.3
     258.0      14.0
     259.0      23.3
     260.0       8.2
     261.0       1.4
     268.0       1.6
     269.0       1.1
     270.0       8.1
     271.0       3.3
     272.0       4.8
     273.0      13.7
     274.0       3.7
     283.0       1.4
     284.0       2.3
     285.0      19.2
     286.0      48.3
     287.0      63.9
     288.0     100.0
     289.0      19.9
     290.0       2.5
     301.0       1.7
     302.0       1.8
     303.0       2.2
     362.0       1.8
     363.0       1.0
     364.0       1.2

KBr disc