3,3,3',3'-TETRAMETHYL-5,5',6,6'-TETRAPROPOXY-1,1'-SPIROBIINDANE(89929-65-7) IR2

Product Name3,3,3',3'-TETRAMETHYL-5,5',6,6'-TETRAPROPOXY-1,1'-SPIROBIINDANE

Molecular FormulaC33H48O4

Molecular Weight508.73

InChIInChI=1S/C33H48O4/c1-9-13-34-27-17-23-25(19-29(27)36-15-11-3)33(21-31(23,5)6)22-32(7,8)24-18-28(35-14-10-2)30(20-26(24)33)37-16-12-4/h17-20H,9-16,21-22H2,1-8H3

InChIKey XFCRUFLAYQTRRX-UHFFFAOYSA-N

SmilesC12(C3=C(C=C(OCCC)C(OCCC)=C3)C(C)(C)C1)C1=C(C=C(OCCC)C(OCCC)=C1)C(C)(C)C2

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Mass

MS-IW-5807          
3,3,3',3'-tetramethyl-5,5',6,6'-tetrapropoxy-2,2',3,3'-tetrahydro-1,1'-spirobi(1H-indene)
C33H48O4            (Mass of molecular ion:    508)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.7
      27.0       1.0
      41.0       2.9
      43.0       4.6
     123.0       1.3
     137.0       1.6
     151.0       2.6
     163.0       1.5
     170.0       1.0
     175.0       2.1
     177.0       1.0
     191.0       2.6
     193.0       3.2
     212.0       1.4
     233.0       3.5
     235.0       3.8
     251.0       1.1
     254.0       2.2
     263.0       1.2
     265.0       1.4
     277.0       1.2
     279.0       1.4
     281.0       1.2
     293.0       1.3
     295.0       1.3
     307.0       1.3
     309.0       1.8
     321.0       1.1
     323.0       1.1
     325.0       1.0
     337.0       1.1
     339.0       1.5
     349.0       1.2
     351.0       1.8
     366.0       1.0
     367.0       1.3
     379.0       1.2
     381.0       1.9
     393.0       1.3
     408.0       1.2
     409.0       2.9
     423.0       5.7
     424.0       1.9
     434.0       1.5
     449.0       1.6
     450.0       1.0
     451.0      11.9
     452.0       3.7
     465.0       1.1
     466.0       2.1
     493.0      69.0
     494.0      24.2
     495.0       4.9
     508.0     100.0
     509.0      36.5
     510.0       7.3
     511.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₃ H₄₈ O₄	0.040 g : 0.5 ml CDCl₃
3,3,3',3'-tetramethyl-5,5',6,6'-tetrapropoxy-2,2',3,3'-tetrahydro-1,1'-spirobi(1H-indene)

    Assign.     Shift(ppm)

      A             6.679
      B             6.311
      C     *1      3.983
      D     *1      3.789
      E     *2      2.292
      F     *2      2.174
      G     *3      1.853
      J     *3      1.743
      K     *4      1.355
      L     *4      1.314
      M     *5      1.061
      N     *5      0.974
     
     J(E,F)=-12.9HZ

     Hz     ppm     Int.

   2669.19   6.679    554
   2522.34   6.312    577
   1598.39   4.000    245
   1591.80   3.983    515
   1585.21   3.967    256
   1521.00   3.806    253
   1514.40   3.790    530
   1507.81   3.773    261
    924.19   2.313    161
    911.25   2.281    251
    873.90   2.187    215
    860.96   2.155    140
    758.54   1.899     30
    751.10   1.880    114
    744.51   1.863    235
    737.06   1.845    246
    730.35   1.828    122
    723.14   1.810     35
    707.28   1.770    114
    700.68   1.754    228
    693.24   1.735    246
    686.52   1.718    122
    679.32   1.700     36
    541.63   1.356   1000
    525.27   1.315    918
    431.52   1.080    460
    428.47   1.073     30
    424.19   1.062    932
    416.75   1.043    425
    396.73   0.993    463
    389.40   0.975    925
    381.96   0.956    420

in CDCl3

KBr disc

nujol mull

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