131-17-9

鄰苯二甲酸二烯丙酯(131-17-9)質(zhì)譜(MS)

產(chǎn)品名稱:鄰苯二甲酸二烯丙酯

CAS:131-17-9

分子式:C14H14O4

分子量: 246.26

InChI:InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

InChIKey: QUDWYFHPNIMBFC-UHFFFAOYSA-N

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

Mass

MS-NW-0275          
diallyl phthalate
C14H14O4            (Mass of molecular ion:    246)

   Source Temperature: 140 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      27.0       1.3
      39.0       9.7
      41.0     100.0
      42.0       3.7
      43.0       2.1
      50.0       3.1
      51.0       1.2
      57.0       1.3
      65.0       3.6
      76.0       6.4
      77.0       2.2
      80.0       1.7
      83.0       1.0
      93.0       2.9
      98.0      14.6
      99.0       1.0
     104.0      10.5
     105.0       2.9
     115.0       1.0
     121.0       2.5
     132.0      13.8
     133.0       1.5
     149.0      53.7
     150.0       4.9
     172.0       2.9
     188.0       8.5
     189.0      24.4
     190.0       3.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₄ O₄	10.6 mol% in CDCl₃
diallyl phthalate

    Assign.     Shift(ppm)

      A             7.72
      B             7.53
      C             5.97
      D             5.38
      E             5.26
      F             4.788

     Hz     ppm     Int.

    697.63   7.790    291
    694.19   7.752    383
    692.31   7.731    287
    691.25   7.719    366
    688.56   7.689    609
    688.19   7.685    555
    684.63   7.645    185
    680.38   7.597    176
    676.69   7.556    624
    673.56   7.521    320
    672.56   7.510    264
    670.81   7.491    370
    667.44   7.453    304
    557.63   6.227     86
    551.94   6.163    165
    547.50   6.114    121
    546.38   6.101    110
    541.81   6.050    198
    540.44   6.035    161
    536.38   5.990    141
    534.69   5.971    259
    530.31   5.922    210
    529.25   5.910    195
    524.94   5.862    307
    524.56   5.858    314
    519.25   5.798    246
    490.88   5.482    170
    489.44   5.465    451
    487.69   5.446    596
    486.25   5.430    272
    477.63   5.334    249
    476.44   5.320    513
    475.81   5.313    276
    475.25   5.307    338
    474.69   5.301    379
    473.63   5.289    272
    472.25   5.274    309
    470.69   5.256    291
    469.13   5.239    156
    467.63   5.222    150
    466.38   5.208    332
    465.81   5.202    202
    465.13   5.194    261
    464.63   5.188    312
    463.44   5.175    166
    432.56   4.830    720
    431.38   4.817   1000
    430.00   4.802    598
    427.06   4.769    560
    425.75   4.754    920
    424.38   4.739    559

in CDCl3