Butyric anhydride(106-31-0) ¹³C NMR

Product NameButyric anhydride

CAS 106-31-0

Molecular FormulaC8H14O3

Molecular Weight158.2

InChIInChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

InChIKey YHASWHZGWUONAO-UHFFFAOYSA-N

SmilesC(=O)(CCC)OC(=O)CCC

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Mass

MS-NW-3133          
butyric anhydride
C8H14O3             (Mass of molecular ion:    158)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0      13.1
      28.0       1.1
      29.0       2.3
      39.0       5.6
      40.0       1.1
      41.0      13.4
      42.0       4.4
      43.0      45.8
      44.0       1.4
      45.0       1.1
      55.0       5.3
      60.0       8.3
      70.0       3.9
      71.0     100.0
      72.0       4.7
      73.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₃	0.05 ml : 0.5 ml CDCl₃
butyric anhydride

    Assign.     Shift(ppm)

      A             2.429
      B             1.69
      C             1.00

     Hz     ppm     Int.

    226.13   2.525    240
    225.25   2.516    258
    218.81   2.444    450
    218.13   2.436    594
    215.75   2.410     39
    211.63   2.363    383
    211.00   2.356    400
    170.25   1.901     49
    163.63   1.828     94
    162.63   1.816    157
    155.75   1.740    278
    154.69   1.728    178
    148.75   1.661    208
    147.63   1.649    253
    142.06   1.587     71
    140.81   1.573    179
    133.81   1.495     52
     96.38   1.077    293
     95.69   1.069    533
     92.19   1.030     30
     90.88   1.015     34
     88.88   0.993   1000
     88.13   0.985    616
     81.94   0.915    188
     81.13   0.906    330
     80.13   0.895    174

in CDCl3