DIALLYL ISOPHTHALATE(1087-21-4) ¹³C NMR

Product NameDIALLYL ISOPHTHALATE

CAS 1087-21-4

Molecular FormulaC14H14O4

Molecular Weight246.26

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

InChIKey OOORLLSLMPBSPT-UHFFFAOYSA-N

SmilesC1(C(OCC=C)=O)=CC=CC(C(OCC=C)=O)=C1

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Mass

MS-NW-0317          
diallyl isophthalate
C14H14O4            (Mass of molecular ion:    246)

   Source Temperature: 150 °C
   Sample Temperature: 115 °C
   Direct, 75 eV

      39.0       4.9
      41.0      11.8
      50.0       2.4
      57.0       1.0
      65.0       1.9
      75.0       2.0
      76.0       7.5
      77.0       1.4
      91.0       2.5
     103.0       2.3
     104.0       4.5
     105.0       1.2
     115.0       6.4
     116.0       1.8
     117.0       2.9
     121.0       1.5
     149.0       9.6
     189.0     100.0
     190.0      12.6
     191.0       2.8
     246.0      13.3
     247.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₄ O₄	0.04 ml : 0.5 ml CDCl₃
diallyl isophthalate

    Assign.     Shift(ppm)

      A             8.729
      B             8.249
      C             7.546
      D             6.039
      E             5.43
      F             5.32
      G             4.857

     Hz     ppm     Int.

    783.88   8.753    173
    783.31   8.747    183
    782.13   8.734    377
    781.56   8.727    367
    780.38   8.714    239
    779.81   8.708    206
    744.25   8.311    348
    743.81   8.306    363
    742.56   8.292    323
    742.00   8.285    320
    736.13   8.220    476
    734.44   8.201    490
    682.81   7.625    230
    682.25   7.618    219
    675.50   7.543    202
    674.94   7.537    239
    674.00   7.526    177
    667.25   7.451    144
    666.69   7.445    140
    563.19   6.289     86
    557.50   6.225    177
    553.06   6.176    119
    552.00   6.164    113
    547.50   6.114    208
    546.06   6.098    156
    542.06   6.053    133
    540.31   6.033    271
    535.94   5.985    206
    534.88   5.973    191
    530.19   5.920    333
    524.88   5.861    245
    495.81   5.537    165
    494.31   5.520    434
    492.69   5.502    595
    491.31   5.486    261
    482.19   5.384    215
    481.00   5.371    478
    479.75   5.357    328
    479.31   5.352    383
    478.63   5.345    221
    478.19   5.340    217
    477.19   5.329    316
    475.63   5.311    311
    474.13   5.294    150
    472.13   5.272    142
    470.88   5.258    318
    469.25   5.240    313
    468.06   5.227    170
    438.94   4.902    636
    437.69   4.888   1000
    436.38   4.873    620
    433.44   4.840    531
    432.13   4.826    992
    430.81   4.811    586

in CDCl3