2,6-DIMETHYL-3,5-HEPTANEDIONE(18362-64-6) IR1

Product Name2,6-DIMETHYL-3,5-HEPTANEDIONE

CAS 18362-64-6

Molecular FormulaC9H16O2

Molecular Weight156.22

InChIInChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3

InChIKey CEGGECULKVTYMM-UHFFFAOYSA-N

SmilesCC(C)C(=O)CC(=O)C(C)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3848          
2,6-dimethyl-3,5-heptanedione
C9H16O2             (Mass of molecular ion:    156)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.1
      28.0       1.4
      29.0       1.8
      39.0       4.0
      41.0      10.7
      42.0       2.5
      43.0      35.7
      44.0       1.3
      53.0       1.1
      55.0       2.6
      57.0       7.5
      67.0       5.2
      69.0       4.0
      70.0       1.5
      71.0      24.1
      72.0       1.1
      85.0       2.5
      86.0       1.0
      95.0       3.4
      97.0       2.2
     113.0     100.0
     114.0       7.0
     156.0      22.9
     157.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
2,6-dimethyl-3,5-heptanedione

    Assign.     Shift(ppm)

      A            15.68
      B             5.527
      C             2.482
      D             1.149

     Hz     ppm     Int.

   6265.38  15.678     21
   2209.23   5.528    314
   1006.10   2.518     56
    999.27   2.501    133
    992.19   2.483    178
    985.35   2.466    141
    978.27   2.448     62
    462.89   1.159   1000
    455.81   1.141    923

in CDCl3