527-35-5

2,3,5,6-四甲基苯酚(527-35-5)质谱(MS)

产品名称:2,3,5,6-四甲基苯酚

CAS:527-35-5

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3

InChIKey: KLAQSPUVCDBEGF-UHFFFAOYSA-N

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

Mass

MS-NW-2356          
2,3,5,6-tetramethylphenol
C10H14O             (Mass of molecular ion:    150)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.6
      27.0       4.1
      29.0       1.7
      39.0       6.2
      40.0       1.0
      41.0       5.4
      43.0       4.3
      50.0       1.3
      51.0       3.9
      52.0       1.5
      53.0       3.7
      55.0       1.7
      63.0       1.9
      64.0       1.2
      65.0       4.0
      66.0       1.3
      67.0       2.6
      74.0       1.4
      75.0       1.4
      77.0       6.8
      78.0       1.8
      79.0       7.0
      91.0      15.3
      92.0       2.0
      93.0       3.5
     103.0       1.9
     105.0       8.8
     106.0       2.2
     107.0       9.0
     108.0       1.7
     115.0       3.4
     116.0       1.7
     117.0       8.0
     118.0       1.0
     119.0       1.7
     121.0       3.0
     122.0       2.0
     131.0       2.1
     133.0       2.5
     135.0     100.0
     136.0      10.3
     149.0      19.5
     150.0      85.9
     151.0       9.6
     164.0       3.3

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄ O	0.047 g : 0.5 ml CDCl₃
2,3,5,6-tetramethylphenol

    Assign.     Shift(ppm)

      A             6.582
      B             4.63
      C             2.198
      D             2.117

     Hz     ppm     Int.

    589.50   6.583    125
    414.31   4.627     81
    196.88   2.199    945
    189.63   2.118   1000
    184.50   2.061     35

¹H NMR	300 MHz
C₁₀ H₁₄ O	0.047 g : 0.5 ml CDCl₃
2,3,5,6-tetramethylphenol

    Parameter     ppm  Hz

      D(A)         6.582
      D(B)         4.63
      D(C)         2.198
      D(D)         2.117

     Hz     ppm     Int.

   1974.60   6.582    123
   1387.79   4.626    105
    659.40   2.198    793
    635.13   2.117   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

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