5609-09-6

(E)-3-Hepten-2-one(5609-09-6)红外图谱(IR1)

产品名称:(E)-3-Hepten-2-one

CAS:5609-09-6

分子式:C7H12O

分子量: 112.17

InChI:InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey: JHHZQADGLDKIPM-AATRIKPKSA-N

Smiles:CC(=O)/C=C/CCC

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₇ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
trans-3-hepten-2-one

    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

liquid film

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ATK CHEMICAL COMPANY LIMITED

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