2409-55-4

2-叔丁基对甲苯酚(2409-55-4)质谱(MS)

产品名称:2-叔丁基对甲苯酚

CAS:2409-55-4

分子式:C11H16O

分子量: 164.24

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

InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N

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

Mass

MS-NW-6144          
2-tert-butyl-p-cresol
C11H16O             (Mass of molecular ion:    164)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.6
      29.0       2.1
      39.0       5.5
      41.0       8.4
      43.0       1.0
      50.0       1.2
      51.0       4.2
      52.0       1.8
      53.0       3.7
      55.0       1.8
      63.0       1.9
      64.0       1.2
      65.0       2.9
      66.0       1.4
      67.0       1.0
      72.5       1.0
      73.5       1.3
      74.5       1.6
      77.0       7.6
      78.0       2.0
      79.0       3.3
      89.0       1.1
      91.0      11.5
      92.0       1.3
      93.0       1.4
     103.0       2.1
     105.0       5.6
     107.0       4.9
     108.0       2.5
     109.0       6.1
     115.0       6.2
     116.0       6.4
     117.0       1.1
     119.0       1.1
     121.0      47.0
     122.0       4.5
     128.0       1.8
     129.0       2.7
     131.0       1.9
     133.0       2.3
     147.0       1.1
     148.0       1.2
     149.0     100.0
     150.0      11.0
     164.0      42.1
     165.0       5.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ O	0.040 g : 0.5 ml CDCl₃
2-tert-butyl-p-cresol

    Assign.     Shift(ppm)

      A             7.058
      B             6.851
      C             6.540
      D             4.54
      E             2.262
      F             1.396

     Hz     ppm     Int.

    631.13   7.048     22
    588.63   6.573     43
    580.69   6.484     25
    406.94   4.544     55
    202.75   2.264    155
    126.94   1.418     21
    125.06   1.397   1000

in CDCl3