109-21-7

丁酸丁酯(109-21-7)核磁图(¹HNMR)

产品名称:丁酸丁酯

CAS:109-21-7

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3

InChIKey: XUPYJHCZDLZNFP-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CCC

Mass

MS-NW-0909          
butyl butyrate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.4
      27.0      18.2
      28.0       5.7
      29.0      21.0
      31.0       1.7
      39.0       8.4
      40.0       1.6
      41.0      34.7
      42.0       4.6
      43.0      57.1
      44.0       1.9
      45.0       1.2
      55.0       7.5
      56.0      49.9
      57.0      18.4
      60.0      10.3
      61.0       1.8
      70.0       1.2
      71.0     100.0
      72.0       4.9
      73.0       7.3
      88.0       4.8
      89.0      46.2
      90.0       2.1
     101.0       4.9
     116.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
butyl butyrate

    Assign.     Shift(ppm)

      A             4.075
      B             2.271
      C             1.69
      D             1.56
      E             1.40
      F     *1      0.95
      G     *1      0.94

     Hz     ppm     Int.

    371.50   4.149    187
    365.00   4.076    513
    358.56   4.004    261
    212.19   2.370    150
    211.13   2.358    157
    204.13   2.280    317
    197.44   2.205    269
    196.69   2.197    271
    166.56   1.860     54
    159.94   1.786    104
    159.06   1.777    126
    158.69   1.772    116
    157.81   1.763     63
    153.19   1.711    124
    152.13   1.699    299
    151.06   1.687    177
    150.50   1.681    129
    149.56   1.670     82
    147.81   1.651     52
    145.06   1.620    282
    144.31   1.612    246
    143.81   1.606    283
    139.25   1.555    166
    138.56   1.548    183
    137.19   1.532    265
    133.38   1.490    157
    132.00   1.474    105
    130.38   1.456     81
    129.94   1.451     88
    129.25   1.444     85
    127.56   1.425    110
    125.88   1.406    104
    122.06   1.363    101
    119.06   1.330    104
    117.25   1.310     50
    115.69   1.292     47
    112.69   1.259     87
    111.31   1.243     45
     92.56   1.034    221
     91.88   1.026    470
     91.25   1.019    401
     90.38   1.010    291
     89.50   1.000    261
     87.19   0.974     51
     86.81   0.970     46
     85.00   0.950   1000
     83.81   0.936    827
     82.19   0.918    226
     78.25   0.874    206
     77.38   0.865    346
     76.31   0.853    271
     74.31   0.830     73

in CDCl3