464-07-3

3，3-二甲基-2-丁醇(464-07-3)质谱(MS)

产品名称:3，3-二甲基-2-丁醇

CAS:464-07-3

分子式:C6H14O

分子量: 102.17

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

InChIKey: DFOXKPDFWGNLJU-UHFFFAOYSA-N

Smiles:CC(O)C(C)(C)C

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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