88-60-8

6-叔丁基间甲酚(88-60-8)质谱(MS)

产品名称:6-叔丁基间甲酚

CAS:88-60-8

分子式:C11H16O

分子量: 164.24

InChI:InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3

InChIKey: XOUQAVYLRNOXDO-UHFFFAOYSA-N

Smiles:C1(O)=CC(C)=CC=C1C(C)(C)C

Mass

MS-NW-0149          
6-tert-butyl-m-cresol
C11H16O             (Mass of molecular ion:    164)

   Source Temperature: 200 °C
   Sample Temperature:  75 °C
   Reservoir, 75 eV

      27.0       3.2
      28.0       1.1
      29.0       1.9
      39.0       6.4
      41.0       7.5
      43.0       1.0
      50.0       1.0
      51.0       3.9
      52.0       1.4
      53.0       3.4
      55.0       1.4
      63.0       2.2
      64.0       1.1
      65.0       3.6
      74.5       1.3
      77.0       8.7
      78.0       2.6
      79.0       3.9
      89.0       1.4
      91.0      13.1
      92.0       1.4
      93.0       1.3
     103.0       2.6
     105.0       6.7
     107.0       3.2
     108.0       1.4
     109.0       5.9
     115.0       6.8
     116.0       6.4
     117.0       1.3
     121.0      41.4
     122.0       3.9
     123.0       1.0
     128.0       1.9
     129.0       2.7
     131.0       1.9
     133.0       2.7
     134.0       1.0
     135.0       2.5
     148.0       1.6
     149.0     100.0
     150.0      11.2
     164.0      28.6
     165.0       3.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
6-tert-butyl-m-cresol

    Assign.     Shift(ppm)

      A             7.136
      B             6.683
      C             6.463
      D             4.62
      E             2.247
      F             1.388

     Hz     ppm     Int.

    643.69   7.188     28
    635.81   7.100     41
    579.75   6.474     31
    579.13   6.467     31
    578.31   6.458     29
    413.88   4.622     45
    201.25   2.248    189
    126.06   1.408     26
    124.31   1.389   1000

in CDCl3