81-90-3

苯酚萘(81-90-3)红外图谱(IR2)

分子式:C20H16O4

分子量: 320.34

InChI:InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)

InChIKey: FFFPYJTVNSSLBQ-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

IR1

IR2

Mass

MS-NW-1711          
phenolphthalin
C20H16O4            (Mass of molecular ion:    320)

   Source Temperature: 230 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       2.9
      27.0       2.0
      28.0       2.0
      39.0       4.7
      41.0       1.7
      43.0       1.5
      44.0       1.2
      50.0       1.0
      51.0       2.7
      53.0       1.0
      55.0       4.3
      57.0       1.2
      63.0       2.3
      65.0       4.6
      66.0       1.0
      75.0       1.5
      76.0       2.4
      77.0       5.9
      88.0       1.0
      89.0       1.4
      91.0       1.0
      93.0       2.2
      94.0       2.7
      94.5       1.5
      95.0       1.1
     101.0       2.7
     104.0       1.5
     105.0       4.6
     107.0       1.3
     109.0       1.2
     113.0       4.4
     113.5       1.3
     114.0       1.2
     115.0       4.8
     119.0       1.8
     121.0       5.8
     122.0       1.3
     126.0       1.0
     127.0       2.3
     127.5       2.2
     128.0       3.2
     131.0       1.1
     133.0       7.2
     139.0       2.0
     141.0       4.5
     142.0       4.4
     142.5       1.0
     150.0       1.5
     151.0       4.6
     152.0       9.0
     153.0       4.2
     165.0       1.7
     168.0       1.7
     169.0       2.5
     170.0       1.0
     180.0       2.0
     181.0      16.2
     182.0       3.1
     189.0       2.6
     197.0      11.5
     198.0       3.4
     199.0      15.4
     200.0       2.8
     201.0       1.0
     202.0       2.9
     209.0       6.0
     210.0       1.5
     213.0       1.3
     215.0       3.0
     218.0       1.1
     225.0      15.6
     226.0      16.1
     227.0       4.3
     228.0       1.5
     231.0       1.6
     244.0       1.6
     245.0       1.6
     247.0       1.0
     255.0       2.8
     256.0       1.4
     257.0       9.6
     258.0       2.2
     271.0       1.0
     273.0      21.2
     274.0      12.2
     275.0       3.6
     284.0       1.2
     285.0       1.8
     301.0       3.7
     302.0     100.0
     303.0      22.4
     304.0       3.1
     318.0       2.0
     319.0       1.5
     320.0      16.0
     321.0       3.6

KBr disc