78-33-1

磷酸三(對-叔丁基苯)酯(78-33-1)核磁圖(¹³CNMR)

分子式:C30H39O4P

分子量: 494.6

InChI:InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3

InChIKey: LORSVOJSXMHDHF-UHFFFAOYSA-N

Smiles:P(=O)(OC1C=CC(C(C)(C)C)=CC=1)(OC1C=CC(C(C)(C)C)=CC=1)OC1C=CC(C(C)(C)C)=CC=1

Mass

MS-NW-8249          
tris(p-tert-butylphenyl) phosphate
C30H39O4P           (Mass of molecular ion:    494)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.7
      28.0       1.1
      29.0       1.6
      41.0       5.4
      55.0       1.2
      57.0      17.0
      58.0       1.1
      77.0       2.2
      91.0       4.5
     105.0       1.8
     107.0       3.2
     109.0       1.7
     115.0       3.2
     116.0       1.1
     117.0       2.5
     118.0       1.1
     119.0       1.1
     121.0       1.2
     133.0       1.2
     135.0       5.4
     153.0       1.4
     169.0       1.1
     178.0       1.4
     181.0       3.0
     183.0       1.8
     197.0       2.8
     204.0       1.3
     211.0       1.7
     218.0       1.7
     232.0      17.6
     232.5       5.4
     361.0       1.0
     367.0       5.2
     368.0       1.3
     407.0       1.9
     449.0       1.2
     463.0       1.5
     465.0       1.8
     479.0     100.0
     480.0      32.3
     481.0       5.9
     493.0       1.4
     494.0      34.3
     495.0      11.4
     496.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃₀ H₃₉ O₄ P	0.039 g : 0.5 ml CDCl₃
tris(p-tert-butylphenyl) phosphate

    Assign.     Shift(ppm)

      A             7.32
      B             7.17
      C             1.297

     Hz     ppm     Int.

    663.00   7.403     23
    662.38   7.396     28
    653.56   7.298     70
    645.00   7.202     57
    643.94   7.191     56
    635.81   7.100     21
    634.81   7.089     22
    116.13   1.297   1000
    114.19   1.276     48

in CDCl3