PARA-SEC-BUTYLPHENYL-2,3-EPOXYPHENYLETHER(67557-76-0) ¹³C NMR

Product NamePARA-SEC-BUTYLPHENYL-2,3-EPOXYPHENYLETHER

CAS 67557-76-0

Molecular FormulaC13H18O2

Molecular Weight206.28

InChIInChI=1S/C13H18O2/c1-3-10(2)11-4-6-12(7-5-11)14-8-13-9-15-13/h4-7,10,13H,3,8-9H2,1-2H3

InChIKey GQTBMBMBWQJACJ-UHFFFAOYSA-N

SmilesO1CC1COC1=CC=C(C(C)CC)C=C1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3496          
p-sec-butylphenyl 2,3-epoxypropyl ether
C13H18O2            (Mass of molecular ion:    206)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       4.9
      29.0      10.3
      31.0       6.3
      39.0       3.1
      41.0       3.2
      51.0       1.9
      53.0       1.2
      55.0       2.4
      57.0      18.6
      63.0       1.3
      65.0       3.9
      77.0       8.3
      78.0       2.4
      79.0       1.9
      91.0      10.1
      92.0       2.2
      93.0       2.8
     103.0       6.1
     104.0       1.8
     105.0       2.7
     107.0       7.0
     115.0       1.3
     117.0       1.5
     119.0       1.8
     120.0       1.9
     121.0      47.8
     122.0       4.3
     133.0       3.4
     135.0       2.5
     147.0       2.8
     163.0       1.8
     177.0     100.0
     178.0      12.3
     179.0       1.1
     191.0       5.2
     206.0      22.7
     207.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
p-sec-butylphenyl 2,3-epoxypropyl ether

    Assign.     Shift(ppm)

      A             7.076
      B             6.842
      C     *1      4.157
      D     *1      3.911
      E             3.307
      F             2.846
      G             2.705
      J             2.529
      K             1.544
      L             1.195
      M             0.797
     
     J(E,F)=4.3HZ
     J(E,G)=2.7HZ
     J(F,G)=5.0HZ
     J(C,D)=-11.0HZ
     J(C,E)=3.3HZ
     J(D,E)=5.7HZ

     Hz     ppm     Int.

   2835.69   7.096     54
   2832.64   7.088    402
   2830.69   7.083    153
   2826.05   7.072    160
   2824.22   7.067    475
   2821.17   7.060     74
   2741.33   6.860     73
   2738.40   6.852    534
   2736.21   6.847    183
   2731.81   6.836    158
   2729.61   6.831    447
   2726.68   6.823     68
   1669.19   4.177    174
   1666.02   4.169    187
   1658.20   4.150    213
   1654.91   4.141    218
   1571.04   3.932    205
   1565.43   3.918    210
   1560.06   3.904    168
   1554.32   3.890    171
   1329.59   3.327     64
   1326.90   3.321     89
   1326.42   3.319     95
   1325.56   3.317     90
   1323.85   3.313    130
   1322.75   3.310    106
   1322.27   3.309    111
   1321.29   3.307    106
   1320.80   3.305     99
   1319.70   3.303    136
   1318.12   3.299     84
   1317.14   3.296     97
   1316.65   3.295     93
   1313.96   3.288     68
   1142.46   2.859    219
   1138.18   2.848    235
   1137.45   2.847    285
   1133.30   2.836    241
   1084.96   2.715    231
   1082.28   2.709    235
   1079.96   2.703    207
   1077.27   2.696    200
   1021.97   2.558     68
   1014.89   2.540    133
   1007.81   2.522    137
   1000.73   2.505     74
    632.20   1.582     70
    627.32   1.570     35
    624.76   1.564    263
    617.43   1.545    378
    609.99   1.527    255
    602.78   1.509     76
    481.20   1.205   1000
    474.24   1.187    944
    325.81   0.816    508
    318.48   0.797    913
    311.04   0.779    470

in CDCl3

liquid film

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PARA-SEC-BUTYLPHENYL-2,3-EPOXYPHENYLETHER(67557-76-0) 13C NMR

PARA-SEC-BUTYLPHENYL-2,3-EPOXYPHENYLETHER(67557-76-0) ¹³C NMR