3,5-Di-tert-butylcatechol(1020-31-1) IR1

Product Name3,5-Di-tert-butylcatechol

CAS 1020-31-1

Molecular FormulaC14H22O2

Molecular Weight222.32

InChIInChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3

InChIKey PJZLSMMERMMQBJ-UHFFFAOYSA-N

SmilesC1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O

Request For Quotation

Mass

MS-NW-6527          
3,5-di-tert-butylpyrocatechol
C14H22O2            (Mass of molecular ion:    222)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       1.3
      18.0       5.9
      27.0       2.2
      29.0       5.8
      39.0       3.6
      41.0      10.3
      43.0       1.4
      51.0       2.1
      53.0       1.7
      55.0       2.1
      57.0      32.9
      58.0       1.5
      65.0       1.8
      67.0       1.1
      68.0       2.7
      74.0       1.0
      77.0       3.7
      78.0       1.0
      79.0       1.7
      81.0       1.9
      82.0       5.9
      91.0       3.8
      93.0       1.8
      96.0       2.8
     103.0       1.2
     105.0       2.0
     107.0       1.2
     108.0       4.4
     115.0       1.6
     119.0       1.4
     121.0       1.2
     123.0       2.1
     131.0       1.1
     133.0       1.3
     135.0       1.5
     136.0       1.4
     137.0       1.3
     149.0       6.5
     150.0       1.4
     151.0       1.8
     163.0       1.3
     164.0       3.5
     165.0       1.6
     177.0       2.7
     179.0       3.9
     191.0       3.6
     192.0       3.6
     207.0     100.0
     208.0      15.0
     209.0       1.4
     222.0      25.7
     223.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₂ O₂	0.043 g : 0.5 ml CDCl₃
3,5-di-tert-butylpyrocatechol

    Assign.     Shift(ppm)

      A             6.886
      B             6.737
      C             5.08
      D             1.411
      E             1.257

     Hz     ppm     Int.

    617.94   6.900     24
    615.75   6.876     32
    604.38   6.749     45
    602.13   6.724     35
    455.06   5.082     69
    126.44   1.412   1000
    112.56   1.257    826

in CDCl3