102-85-2

三丁基,三丁酯(102-85-2)紅外圖譜(IR1)

產(chǎn)品名稱:三丁基,三丁酯

CAS:102-85-2

分子式:C12H27O3P

分子量: 250.31

InChI:InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3

InChIKey: XTTGYFREQJCEML-UHFFFAOYSA-N

Smiles:P(OCCCC)(OCCCC)OCCCC

Mass

MS-IW-5633          
tributyl phosphite
C12H27O3P           (Mass of molecular ion:    250)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.5
      28.0       1.0
      29.0      11.8
      39.0       2.0
      41.0      14.1
      43.0       1.2
      55.0       3.6
      56.0       8.9
      57.0      30.8
      58.0       1.4
      65.0       4.2
      82.0       4.5
      83.0     100.0
      96.0       1.2
      97.0       3.8
      99.0       1.0
     109.0       1.8
     111.0       1.5
     121.0       5.3
     123.0       3.6
     137.0       1.2
     138.0       2.5
     139.0      31.3
     140.0       1.4
     177.0       6.8
     195.0      11.7
     196.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₇ O₃ P	0.05 ml : 0.5 ml CDCl₃
tributyl phosphite

    Assign.     Shift(ppm)

      A             3.800
      B             1.599
      C             1.399
      D             0.928
     
     J(A,P-31)=6.6HZ

     Hz     ppm     Int.

   1529.17   3.827    251
   1522.58   3.810    490
   1521.61   3.808    323
   1515.87   3.793    343
   1514.89   3.791    480
   1511.47   3.782     36
   1508.30   3.775    250
    653.32   1.635     91
    646.73   1.619    246
    643.80   1.611     88
    639.89   1.602    285
    639.53   1.601    284
    637.45   1.596    180
    631.59   1.581    255
    625.00   1.564    123
    577.03   1.444     75
    571.41   1.430     67
    569.58   1.426    212
    563.96   1.412    139
    562.01   1.407    289
    556.64   1.393    135
    554.32   1.388    293
    549.32   1.375     64
    547.12   1.369    191
    539.79   1.351     62
    384.03   0.961     33
    381.84   0.956     52
    378.30   0.947    648
    370.85   0.928   1000
    363.40   0.910    560
    359.74   0.901     58

in CDCl3