563-80-4

3-Methyl-2-butanone(563-80-4) MS

Product Name3-Methyl-2-butanone

CAS 563-80-4

Molecular FormulaC5H10O

Molecular Weight86.13

InChIInChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N

SmilesCC(=O)C(C)C

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3-Methyl-2-butanone(563-80-4) MS
Mass

MS-NW-0051          
3-methyl-2-butanone
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 230 °C
   Sample Temperature:  55 °C
   Reservoir, 75 eV

      14.0       1.6
      15.0       9.8
      26.0       3.1
      27.0      19.3
      28.0       3.1
      29.0       3.5
      37.0       1.4
      38.0       2.9
      39.0      16.3
      40.0       2.1
      41.0      26.2
      42.0       4.9
      43.0     100.0
      44.0       2.4
      45.0       1.3
      50.0       1.3
      51.0       1.1
      57.0       3.7
      71.0       6.9
      86.0      22.6
      87.0       1.0

90 MHz in CDCl3

3-Methyl-2-butanone(563-80-4) MS

¹H NMR	89.56 MHz
C₅ H₁₀ O	0.02 ml : 0.5 ml CDCl₃
3-methyl-2-butanone

    Assign.     Shift(ppm)

      A             1.111
      B             2.141
      C             2.584

     Hz     ppm     Int.

    240.00   2.680     46
    233.00   2.602     65
    226.13   2.525     55
    219.31   2.449     29
    191.63   2.140    951
    102.50   1.145   1000
     95.56   1.067    864
     89.56   1.000     24

in CDCl3