88-58-4

2,5-二特丁基对苯二酚(88-58-4)Raman光谱

产品名称:2,5-二特丁基对苯二酚

CAS:88-58-4

分子式:C14H22O2

分子量: 222.32

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

InChIKey: JZODKRWQWUWGCD-UHFFFAOYSA-N

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

Mass

MS-NW-8128          
2,5-di-tert-butylhydroquinone
C14H22O2            (Mass of molecular ion:    222)

   Source Temperature: 170 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.1
      29.0       2.0
      39.0       1.1
      41.0       4.9
      43.0       5.5
      53.0       1.0
      55.0       2.1
      57.0      16.6
      67.0       1.3
      69.0       2.3
      71.0       4.1
      77.0       1.4
      79.0       1.1
      81.0       2.2
      82.0       3.2
      91.0       1.8
      96.0       1.2
     105.0       1.2
     107.0       1.0
     115.0       1.3
     123.0       2.4
     137.0       4.1
     149.0       1.3
     151.0       3.5
     163.0       1.7
     165.0       1.4
     177.0       2.2
     179.0       3.0
     191.0       2.7
     192.0       2.8
     207.0     100.0
     208.0      14.5
     209.0       1.4
     222.0      50.7
     223.0       7.9

parameter in DMSO-d6

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	300 MHz
C₁₄ H₂₂ O₂	0.045 g : 0.5 ml DMSO-d₆
2,5-di-tert-butylhydroquinone

    Parameter     ppm  Hz

      D(A)         8.36
     
      D(B)         6.60
     
      D(C)         1.294

     Hz     ppm     Int.

   2507.99   8.360     53
   1980.01   6.600    111
    388.22   1.294   1000

¹H NMR	399.65 MHz
C₁₄ H₂₂ O₂	0.045 g : 0.5 ml DMSO-d₆
2,5-di-tert-butylhydroquinone

    Assign.     Shift(ppm)

      A             8.36
      B             6.600
      C             1.294

     Hz     ppm     Int.

   3339.60   8.357    124
   2637.82   6.601    147
    517.09   1.294   1000

¹H NMR	89.56 MHz
C₁₄ H₂₂ O₂	0.045 g : 0.5 ml DMSO-d₆
2,5-di-tert-butylhydroquinone

    Assign.     Shift(ppm)

      A             8.32
      B             6.594
      C             1.290

     Hz     ppm     Int.

    745.38   8.323    169
    590.56   6.595    126
    115.50   1.290   1000

DMSO-d6

KBr disc

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