2216-81-1

丙酸庚酯(2216-81-1)核磁图(¹³CNMR)

产品名称:丙酸庚酯

CAS:2216-81-1

分子式:C10H20O2

分子量: 172.26

InChI:InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3

InChIKey: BGYICJVBGZQOCY-UHFFFAOYSA-N

Smiles:C(OCCCCCCC)(=O)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3528          
heptyl propionate
C10H20O2            (Mass of molecular ion:    172)

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

      27.0      10.1
      28.0       4.5
      29.0      35.4
      31.0       1.9
      39.0       5.1
      40.0       1.1
      41.0      23.6
      42.0      14.3
      43.0      20.1
      44.0       1.0
      53.0       1.3
      54.0       3.6
      55.0      28.7
      56.0      54.7
      57.0     100.0
      58.0       4.2
      67.0       1.2
      68.0       6.0
      69.0      26.7
      70.0      49.8
      71.0       3.7
      72.0       2.3
      74.0       3.0
      75.0      55.8
      76.0       1.9
      83.0       6.1
      85.0       1.2
      87.0       5.8
      97.0       4.3
      98.0      32.4
      99.0       2.8
     101.0       1.3
     112.0       1.2
     113.0       2.1
     115.0       1.9
     130.0       1.4
     143.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₀ O₂	0.05 ml : 0.5 ml CDCl₃
heptyl propionate

    Assign.     Shift(ppm)

      A             4.066
      B             2.319
      C             1.623
      D          1.36 to 1.31
      E             1.29
      F             1.139
      G             0.887

     Hz     ppm     Int.

   1631.84   4.084    276
   1625.12   4.067    514
   1618.29   4.050    290
    938.35   2.348    169
    930.66   2.329    460
    923.10   2.310    475
    915.53   2.291    183
    663.21   1.660     30
    656.25   1.643     91
    649.17   1.625    129
    641.97   1.607    110
    635.13   1.590     44
    546.02   1.367     59
    544.19   1.362     68
    536.50   1.343    165
    532.47   1.333    204
    531.74   1.331    199
    528.32   1.322    239
    526.12   1.317    232
    523.07   1.309    169
    520.63   1.303    208
    519.65   1.301    211
    518.55   1.298    204
    516.48   1.293    269
    514.77   1.289    268
    510.86   1.279    180
    462.89   1.159    610
    460.45   1.153     42
    458.01   1.147     38
    455.32   1.140   1000
    452.76   1.133     62
    447.75   1.121    577
    445.19   1.114     32
    361.57   0.905    180
    358.15   0.897    129
    354.61   0.888    553
    347.53   0.870    205

in CDCl3

liquid film

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丙酸庚酯(2216-81-1)核磁图(13CNMR)

丙酸庚酯(2216-81-1)核磁图(¹³CNMR)