3-METHYL-2-BUTANOL(598-75-4) MS

Product Name3-METHYL-2-BUTANOL

CAS 598-75-4

Molecular FormulaC5H12O

Molecular Weight88.15

InChIInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

InChIKey MXLMTQWGSQIYOW-UHFFFAOYSA-N

SmilesCC(O)C(C)C

Request For Quotation

Mass

MS-NW-1316          
3-methyl-2-butanol
C5H12O              (Mass of molecular ion:     88)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      19.0       2.1
      27.0       6.9
      28.0       1.4
      29.0       3.1
      31.0       2.8
      39.0       3.8
      41.0       6.7
      42.0       1.9
      43.0       8.2
      44.0      11.8
      45.0     100.0
      46.0       2.4
      55.0      11.0
      73.0       9.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
3-methyl-2-butanol

    Assign.     Shift(ppm)

      A             3.55
      B             1.77
      C             1.62
      D             1.142
      E     *1      0.925
      F     *1      0.902

     Hz     ppm     Int.

    324.50   3.624     70
    318.88   3.561     78
    318.25   3.554     82
    312.69   3.492     75
    158.50   1.770    655
    148.50   1.659     44
    147.38   1.646     45
    141.75   1.583     58
    140.63   1.571     40
    135.00   1.508     36
    105.25   1.176   1000
    103.25   1.153     38
     99.00   1.106    928
     85.75   0.958    527
     83.50   0.933    577
     79.06   0.883    417
     76.94   0.860    402

in CDCl3