596-01-0

1-萘酚酞(596-01-0)红外图谱(IR2)

分子式:C28H18O4

分子量: 418.44

InChI:InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H

InChIKey: HQHBAGKIEAOSNM-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(C2=C3C(C=CC=C3)=C(O)C=C2)(C2=C3C(C=CC=C3)=C(O)C=C2)O1

IR1

IR2

Mass

MS-NW-0738          
3,3-bis(4-hydroxy-1-naphthyl)phthalide
C28H18O4            (Mass of molecular ion:    418)

   Source Temperature: 200 °C
   Sample Temperature: 290 °C
   Direct, 75 eV

      18.0       3.0
      27.0       1.2
      28.0       8.7
      38.0       1.3
      39.0       6.1
      41.0       1.0
      44.0      10.5
      50.0       5.7
      51.0       5.1
      53.0       1.0
      55.0       1.5
      57.0       2.9
      57.5       3.4
      58.0       3.9
      61.0       1.3
      62.0       5.1
      63.0      10.5
      64.0       1.9
      65.0       3.7
      72.0       4.8
      74.0       4.2
      75.0       5.7
      76.0      11.7
      77.0       7.0
      81.5       2.6
      82.0       1.3
      86.0       2.9
      87.0       4.8
      88.0       7.0
      89.0       8.1
      90.0       1.4
      93.5       2.1
      94.0       4.1
      94.5      12.5
      95.0       4.4
      98.0       1.6
      99.0       1.6
     100.0       2.8
     101.0       4.9
     103.0       1.0
     104.0       9.3
     105.0       6.0
     106.5       1.0
     108.0       1.5
     109.0       4.9
     110.0       1.1
     111.0       1.4
     112.0       1.3
     113.0       6.1
     114.0      11.5
     115.0      55.9
     116.0      24.7
     117.0       2.3
     118.0       1.3
     118.5       1.6
     119.0       1.1
     119.5       1.6
     123.0       2.0
     124.0       1.4
     125.0       2.0
     126.0       2.0
     127.0       4.0
     128.0       1.1
     129.5       1.2
     130.0       1.2
     130.5       3.0
     131.0       1.8
     131.5       2.7
     132.0       2.0
     133.0       2.4
     134.0       1.5
     135.0       1.1
     136.0       1.4
     137.0       5.7
     137.5       1.4
     138.0       3.0
     139.0       1.8
     142.0       2.0
     142.5       4.2
     143.0      10.8
     143.5       7.9
     144.0      78.6
     144.5       3.2
     145.0      10.0
     146.0       1.1
     148.0       1.5
     148.5       1.1
     149.0       4.4
     149.5       2.2
     150.0      10.9
     150.5       3.3
     151.0       3.5
     152.0       1.3
     154.5       2.4
     155.0       2.3
     155.5      11.3
     156.0       6.2
     156.5      18.5
     157.0       8.8
     157.5       3.0
     158.0       2.4
     159.0       1.6
     160.0       1.2
     161.0       4.0
     161.5       2.5
     162.0      14.1
     162.5       6.4
     163.0      18.5
     163.5       4.8
     164.0       3.7
     164.5       3.2
     165.0       3.7
     167.5       1.2
     168.0       2.2
     168.5       4.2
     169.0       4.5
     169.5       1.5
     170.0       2.2
     170.5       1.2
     171.0      18.1
     171.5       3.8
     172.0       4.3
     172.5       1.1
     174.0       1.1
     175.0       1.1
     176.0       2.7
     176.5       3.5
     177.0       5.5
     177.5       5.0
     178.0       3.9
     178.5       1.1
     179.0       2.2
     185.0       1.9
     185.5       2.4
     186.0       4.0
     186.5       1.6
     187.0       7.2
     188.0       4.0
     189.0      30.3
     190.0       9.3
     191.0       4.8
     192.0       1.2
     199.0       1.1
     200.0      10.4
     200.5       2.0
     201.0       7.4
     202.0      22.4
     203.0       6.9
     204.0       1.4
     208.0       1.1
     209.0       7.4
     209.5       2.2
     213.0       1.9
     215.0       2.9
     216.0       1.0
     217.0       3.3
     218.0      17.1
     219.0       4.0
     220.0       1.1
     224.0       1.1
     226.0       1.8
     229.0       2.2
     230.0      13.9
     231.0      55.0
     232.0      12.9
     233.0       1.9
     237.0       2.2
     238.0       1.0
     239.0       6.3
     240.0       2.0
     245.0       2.3
     246.0      31.1
     247.0      13.9
     248.0       4.4
     249.0       1.1
     250.0       1.5
     252.0       1.2
     255.0       1.8
     257.0       1.7
     258.0       1.1
     259.0       2.8
     260.0       2.1
     261.0       1.6
     263.0       1.3
     267.0       1.0
     268.0       2.5
     269.0       1.6
     273.0       6.8
     274.0      57.7
     275.0      34.2
     276.0      17.0
     277.0       3.2
     284.0       1.0
     285.0       2.4
     286.0       2.8
     287.0       3.4
     288.0       1.2
     289.0       3.6
     290.0       1.2
     296.0       1.8
     297.0       6.1
     298.0       2.7
     299.0       1.7
     300.0       3.8
     301.0       1.8
     302.0       3.0
     303.0       1.2
     309.0       1.3
     310.0       1.0
     311.0       5.7
     312.0       2.8
     313.0      19.6
     314.0       8.0
     315.0       7.8
     316.0       3.1
     317.0       1.4
     318.0       1.6
     322.0       1.4
     323.0       1.1
     324.0       5.9
     325.0       4.5
     326.0      14.6
     327.0       9.3
     328.0       3.7
     329.0       4.5
     330.0       2.0
     331.0       2.1
     337.0       1.6
     338.0       1.1
     339.0       4.6
     340.0       2.4
     341.0       3.7
     342.0      10.3
     343.0      10.3
     344.0       7.9
     345.0       4.7
     346.0       1.6
     352.0       1.1
     353.0       2.0
     354.0       7.6
     355.0      20.6
     356.0       9.0
     357.0      13.7
     358.0       6.2
     359.0       2.2
     369.0       1.4
     370.0      15.1
     371.0      19.3
     372.0      31.5
     373.0      42.2
     374.0      57.1
     375.0      15.4
     376.0       2.8
     381.0       1.0
     382.0       1.9
     383.0       2.2
     384.0       2.0
     385.0       1.2
     389.0       3.1
     390.0       1.9
     398.0       1.7
     399.0       4.2
     400.0      10.3
     401.0       6.5
     402.0       6.3
     403.0       2.0
     416.0       7.0
     417.0       6.2
     418.0     100.0
     419.0      31.4
     420.0       9.1
     421.0       1.8

KBr disc