3,3-DIMETHYL-2-BUTANOL(464-07-3) IR1

Product Name3,3-DIMETHYL-2-BUTANOL

CAS 464-07-3

Molecular FormulaC6H14O

Molecular Weight102.17

InChIInChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

InChIKey DFOXKPDFWGNLJU-UHFFFAOYSA-N

SmilesCC(O)C(C)(C)C

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Mass

MS-NW-1199          
3,3-dimethyl-2-butanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.7
      18.0       1.6
      19.0       1.9
      27.0      10.4
      28.0       2.9
      29.0      24.8
      31.0       1.6
      39.0      10.0
      40.0       1.7
      41.0      58.4
      42.0       3.2
      43.0       9.1
      44.0       4.1
      45.0      83.4
      46.0       1.9
      47.0       1.0
      53.0       2.1
      55.0       4.6
      56.0      54.5
      57.0     100.0
      58.0       4.5
      59.0       1.4
      69.0      27.7
      70.0       1.7
      71.0       1.9
      84.0       1.3
      87.0      25.9
      88.0       1.4
     102.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
3,3-dimethyl-2-butanol

    Assign.     Shift(ppm)

      A             3.465
      B             1.63
      C             1.117
      D             0.892

     Hz     ppm     Int.

    313.75   3.504     33
    307.38   3.433     34
    145.69   1.627     63
    103.13   1.152    205
     96.69   1.080    188
     81.69   0.913     24
     79.88   0.892   1000
     77.75   0.869     41

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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