1330-78-5

磷酸三甲苯酯(1330-78-5)红外图谱(IR2)

分子式:C21H21O4P

分子量: 368.36

InChI:InChI=1S/3C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21;1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h3*4-15H,1-3H3

InChIKey: IUJIYUAKFBGBCG-UHFFFAOYSA-N

Smiles:P(=O)(OC1C=CC=C(C)C=1)(OC1=CC=CC(C)=C1)OC1C=CC=C(C)C=1.P(=O)(OC1=CC=CC=C1C)(OC1=CC=CC=C1C)OC1=CC=CC=C1C.P(=O)(OC1C=CC(C)=CC=1)(OC1=CC=C(C)C=C1)OC1C=CC(C)=CC=1

IR1

IR2

Raman

Mass

MS-NW-5543          
tritolyl phosphate
C21H21O4P           (Mass of molecular ion:    368)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       3.3
      28.0       1.3
      39.0      10.5
      41.0       3.0
      47.0       3.4
      50.0       1.6
      51.0       6.5
      52.0       3.6
      53.0       4.9
      63.0       5.0
      64.0       1.6
      65.0      23.5
      66.0       1.6
      77.0      23.0
      78.0       8.8
      79.0      17.9
      80.0       1.8
      89.0       8.2
      90.0      15.3
      91.0      36.1
      92.0       3.3
     105.0       1.3
     106.0       2.1
     107.0      23.1
     108.0      19.0
     109.0       1.9
     152.0       1.2
     153.0       5.1
     154.0       3.8
     155.0       1.7
     165.0      21.9
     166.0       5.1
     167.0       1.1
     169.0       1.9
     170.0       2.4
     178.0       3.2
     179.0       8.6
     180.0      13.0
     181.0       6.7
     182.0       5.6
     183.0       3.5
     184.0       1.3
     195.0       3.0
     196.0       5.0
     197.0       6.9
     198.0      17.1
     199.0       2.7
     243.0       9.2
     244.0       1.5
     255.0       2.2
     256.0       1.0
     259.0       1.3
     260.0       7.9
     261.0      16.2
     262.0       2.6
     270.0       1.2
     277.0       4.2
     278.0       1.2
     367.0      32.2
     368.0     100.0
     369.0      23.4
     370.0       3.3

CCl4 solution