Dibutyl oxalate(2050-60-4) MS

Product NameDibutyl oxalate

CAS 2050-60-4

Molecular FormulaC10H18O4

Molecular Weight202.25

InChIInChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3

InChIKey JKRZOJADNVOXPM-UHFFFAOYSA-N

SmilesC(OCCCC)(=O)C(OCCCC)=O

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Mass

MS-NW-0839          
dibutyl oxalate
C10H18O4            (Mass of molecular ion:    202)

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

      27.0       8.8
      28.0       4.5
      29.0      42.1
      30.0       1.0
      31.0       1.7
      39.0       5.1
      41.0      40.5
      42.0       3.0
      43.0       4.3
      44.0       1.1
      55.0       6.1
      56.0      23.5
      57.0     100.0
      58.0       4.4
     103.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₈ O₄	0.04 ml : 0.5 ml CDCl₃
dibutyl oxalate

    Assign.     Shift(ppm)

      A             4.287
      B             1.71
      C             1.42
      D             0.96

     Hz     ppm     Int.

    391.00   4.366    381
    387.31   4.325     46
    384.50   4.294   1000
    377.94   4.220    525
    376.44   4.204     75
    168.44   1.881     41
    163.31   1.824     83
    162.06   1.810    120
    161.69   1.806    119
    159.75   1.784     82
    158.25   1.767     71
    157.19   1.756     80
    155.25   1.734    235
    154.31   1.723    173
    153.25   1.712    154
    148.75   1.661    225
    147.81   1.651    207
    145.31   1.623     93
    144.75   1.617    112
    143.06   1.598    104
    142.06   1.587    138
    141.19   1.577     99
    139.31   1.556    106
    138.25   1.544    146
    137.56   1.536    174
    135.69   1.516     61
    134.63   1.504     55
    133.19   1.488    137
    132.13   1.476    174
    131.63   1.470    162
    130.06   1.453    212
    128.50   1.435     83
    127.69   1.426     80
    126.00   1.407    161
    123.31   1.377    207
    119.56   1.335     77
    116.63   1.303    179
    115.56   1.291    103
    110.19   1.231     84
     93.13   1.040    275
     92.06   1.028    464
     91.50   1.022    446
     88.50   0.989     69
     85.56   0.956    951
     84.13   0.940    396
     81.00   0.905     74
     79.19   0.885    156
     78.13   0.873    219
     76.31   0.853    130

in CDCl3