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5609-09-6

(E)-3-Hepten-2-one

Product Name (E)-3-Hepten-2-one

CAS5609-09-6

MFC7H12O

MW112.17

More

  • 5609-09-6_ms_1
    Mass

    MS-IW-6975          
    trans-3-hepten-2-one
    C7H12O              (Mass of molecular ion:    112)
    

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

          15.0       4.1
          26.0       1.2
          27.0      11.1
          28.0       2.4
          29.0       7.7
          38.0       1.3
          39.0      12.3
          40.0       2.6
          41.0      34.8
          42.0       5.6
          43.0      69.8
          44.0       1.8
          50.0       1.0
          51.0       1.6
          53.0       4.1
          54.0       1.0
          55.0     100.0
          56.0       4.0
          57.0       1.2
          58.0       2.7
          59.0       1.1
          65.0       1.0
          67.0       2.4
          68.0       2.6
          69.0      13.9
          70.0       1.4
          71.0       6.3
          79.0       1.8
          81.0       1.0
          83.0       2.7
          94.0       1.6
          97.0      85.2
          98.0       6.0
         112.0      33.1
         113.0       3.5
    

400 MHz in CDCl3

  • 5609-09-6_1hnmr_0

    1H NMR 399.65 MHz
    C7 H12 O 0.05 ml : 0.5 ml CDCl3
    trans-3-hepten-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.817 B 6.079 C 2.249 D 2.22 E 1.513 F 0.951

         Hz     ppm     Int.
    

       2739.87   6.856     53
       2733.03   6.839    102
       2726.07   6.822     55
       2723.88   6.816     58
       2717.04   6.799    113
       2710.08   6.782     57
       2438.48   6.102     77
       2437.01   6.098    137
       2435.42   6.094     72
       2422.61   6.062     70
       2421.02   6.058    123
       2419.56   6.055     65
        899.05   2.250   1000
        895.26   2.241     85
        889.65   2.227    146
        888.18   2.223    145
        885.74   2.217     31
        882.08   2.208    135
        881.10   2.205    128
        880.62   2.204    126
        875.12   2.190     91
        873.66   2.187     71
        615.84   1.541    115
        608.40   1.523    196
        600.95   1.504    193
        593.63   1.486    114
        586.30   1.468     31
        387.33   0.970    347
        384.77   0.963     33
        380.00   0.951    593
        372.56   0.933    296
    

in CDCl3

  • 5609-09-6_13cnmr_0

liquid film

  • 5609-09-6_ir1_0