2-Amino-4-tert-butylphenol(1199-46-8) MS

Product Name2-Amino-4-tert-butylphenol

CAS 1199-46-8

Molecular FormulaC10H15NO

Molecular Weight165.23

InChIInChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3

InChIKey RPJUVNYXHUCRMG-UHFFFAOYSA-N

SmilesC1(O)=CC=C(C(C)(C)C)C=C1N

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Mass

MS-IW-0732          
2-amino-4-tert-butylphenol
C10H15NO            (Mass of molecular ion:    165)

   Source Temperature: 120 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       1.0
      39.0       1.6
      41.0       1.9
      51.0       1.4
      53.0       1.8
      55.0       1.2
      61.0       2.0
      65.0       2.1
      75.0       1.7
      77.0       3.3
      79.0       2.9
      80.0       1.7
      89.0       1.0
      91.0       2.1
      92.0       2.1
      93.0       1.8
     103.0       1.7
     105.0       9.7
     106.0       2.7
     107.0       1.2
     109.0       7.0
     110.0       5.7
     117.0       1.2
     121.0       1.0
     122.0       9.0
     123.0       1.3
     133.0      26.6
     134.0       5.7
     135.0       2.5
     149.0       2.3
     150.0     100.0
     151.0      10.5
     164.0       1.3
     165.0      56.8
     166.0       6.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₅ N O	0.035 g : 0.5 ml DMSO-d₆
2-amino-4-tert-butylphenol

    Assign.     Shift(ppm)

      A             8.7
      B             6.639
      C             6.545
      D             6.399
      E             4.4
      F             1.189

     Hz     ppm     Int.

   2654.42   6.642     86
   2652.13   6.637     88
   2620.39   6.557     75
   2612.30   6.537     97
   2562.10   6.411     53
   2559.66   6.405     50
   2553.86   6.391     41
   2551.57   6.385     40
    475.31   1.190   1000

in DMSO-d6