77-94-1

檸檬酸三丁酯(77-94-1)Raman光譜

產(chǎn)品名稱(chēng):檸檬酸三丁酯

CAS:77-94-1

分子式:C18H32O7

分子量: 360.44

InChI:InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3

InChIKey: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

Smiles:C(C(OCCCC)=O)C(O)(C(OCCCC)=O)CC(OCCCC)=O

Mass

MS-NW-1762          
tributyl 2-hydroxy-1,2,3-propanetricarboxylate
C18H32O7            (Mass of molecular ion:    360)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.5
      17.0       1.5
      18.0       7.0
      26.0       1.4
      27.0      16.5
      28.0      13.8
      29.0      82.0
      30.0       2.1
      31.0       8.7
      32.0       4.0
      39.0       9.5
      40.0       2.2
      41.0      69.4
      42.0       8.3
      43.0      18.9
      44.0       3.5
      45.0       1.2
      53.0       1.3
      55.0      12.0
      56.0      22.3
      57.0      76.3
      58.0       3.6
      60.0       5.3
      61.0       2.1
      69.0       5.7
      73.0       1.0
      74.0       1.3
      84.0       7.4
      85.0       2.6
      87.0      12.6
     101.0       1.2
     102.0      11.6
     103.0       3.2
     105.0       1.3
     111.0      16.0
     112.0       3.8
     113.0       2.1
     115.0       2.4
     128.0       1.0
     129.0      89.6
     130.0       5.7
     131.0       1.1
     133.0       1.9
     139.0       5.0
     143.0       2.3
     147.0      10.6
     157.0       7.1
     158.0       3.8
     185.0     100.0
     186.0      10.4
     187.0       1.3
     203.0       3.8
     213.0       1.6
     259.0      25.6
     260.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₃₂ O₇	0.04 ml : 0.5 ml CDCl₃
tributyl 2-hydroxy-1,2,3-propanetricarboxylate

    Assign.     Shift(ppm)

      A             4.21
      B             4.09
      C             4.14
      D     *1      2.86
      E     *1      2.82
      F          1.86 to 1.15
      G             0.93
     
     J(D,E)=-15.6HZ

     Hz     ppm     Int.

    383.75   4.285    154
    377.38   4.214    419
    372.63   4.161    286
    370.81   4.141    554
    366.13   4.089    725
    359.63   4.016    362
    255.31   2.851    747
    253.38   2.830    853
    156.88   1.752     99
    153.19   1.711     83
    152.69   1.705     86
    152.13   1.699     86
    149.88   1.674    163
    148.63   1.660    148
    147.44   1.647    111
    146.94   1.641    106
    143.69   1.605    244
    142.13   1.587    226
    137.88   1.540    261
    136.50   1.525    228
    135.50   1.513    208
    133.25   1.488    166
    131.94   1.474    237
    130.69   1.460    167
    127.75   1.427    178
    126.19   1.409    231
    124.31   1.389    181
    122.31   1.366    121
    120.50   1.346    169
    119.75   1.338    145
    118.69   1.326    124
    117.50   1.312    173
    115.75   1.293     96
    114.25   1.276     83
    112.94   1.262     95
    111.25   1.243    142
     90.13   1.007    393
     89.31   0.998    463
     85.75   0.958     83
     83.94   0.938    481
     82.69   0.924   1000
     81.19   0.907    329
     77.63   0.867    142
     76.56   0.855    210
     75.19   0.840    199
     73.25   0.818     89

in CDCl3