4-TERT-PENTYLCYCLOHEXANONE(16587-71-6) ¹H NMR

Product Name4-TERT-PENTYLCYCLOHEXANONE

CAS 16587-71-6

Molecular FormulaC11H20O

Molecular Weight168.28

InChIInChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

InChIKey DCSKAMGZSIRJAQ-UHFFFAOYSA-N

SmilesC1(=O)CCC(C(C)(C)CC)CC1

Request For Quotation

¹HNMR

¹³CNMR

IR1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O	0.05 ml : 0.5 ml CDCl₃
4-tert-pentylcyclohexanone

    Assign.     Shift(ppm)

      A             2.388
      B             2.313
      C             2.035
      D             1.587
      E             1.451
      F             1.319
      G             0.855
      J             0.852

     Hz     ppm     Int.

    966.80   2.420     30
    964.36   2.414     37
    963.75   2.412     39
    961.91   2.407     35
    953.74   2.387     52
    951.66   2.382     72
    949.22   2.376     89
    947.02   2.370     79
    944.82   2.365     44
    939.09   2.350     62
    932.98   2.335     61
    925.90   2.317     55
    924.93   2.315     61
    920.90   2.305     47
    919.56   2.301     65
    905.52   2.266     30
    823.73   2.062     37
    821.29   2.056     49
    819.70   2.052     35
    818.36   2.048     46
    816.77   2.044     33
    815.31   2.041     41
    813.72   2.037     37
    812.74   2.034     35
    811.04   2.030     50
    808.11   2.023     55
    806.64   2.019     39
    804.93   2.015     52
    802.12   2.008     35
    637.21   1.595     55
    625.37   1.565     56
    622.68   1.559     32
    589.23   1.475     58
    585.33   1.465     57
    577.03   1.444     47
    573.36   1.435     36
    572.14   1.432     42
    539.06   1.349     59
    531.49   1.330    181
    523.93   1.311    195
    516.48   1.293     73
    348.02   0.871    266
    341.67   0.855   1000
    340.45   0.852    677
    332.89   0.833    237

in CDCl3