106-34-3

醌氢醌(106-34-3)红外图谱(IR2)

产品名称:醌氢醌

CAS:106-34-3

分子式:C12H10O4

分子量: 218.21

InChI:InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H

InChIKey: BDJXVNRFAQSMAA-UHFFFAOYSA-N

Smiles:C1(O)C=CC(O)=CC=1.C1(=O)C=CC(=O)C=C1

¹HNMR

IR1

IR2

Mass

MS-NW-1781          
quinhydrone
C6H6O2 C6H4O2       (Mass of molecular ion:    218)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       3.8
      25.0       3.2
      26.0      21.9
      27.0      10.4
      28.0       3.3
      29.0       3.3
      31.0       1.0
      37.0       2.4
      38.0       2.5
      39.0      10.8
      41.0       1.1
      42.0       1.4
      43.0       1.0
      49.0       1.3
      50.0       3.9
      51.0       4.0
      52.0       9.7
      53.0      13.0
      54.0      33.9
      55.0      14.6
      56.0       1.1
      61.0       1.8
      62.0       2.0
      63.0       3.2
      64.0       3.1
      65.0       1.0
      69.0       1.6
      80.0      10.2
      81.0      19.6
      82.0      18.7
     108.0      35.0
     109.0       6.8
     110.0     100.0
     111.0       7.0

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ O₂	0.027 g : 0.5 ml DMSO-d₆
quinhydrone

    Assign.     Shift(ppm)

      A             8.63
      B             6.875
      C             6.565

     Hz     ppm     Int.

   3448.24   8.629    365
   2747.56   6.875   1000
   2623.78   6.566    796

¹H NMR	89.56 MHz
C₆ H₆ O₂	0.042 g : 0.5 ml DMSO-d₆
quinhydrone

    Assign.     Shift(ppm)

      A             8.58
      B             6.864
      C             6.568

     Hz     ppm     Int.

    768.82   8.585    109
    614.79   6.865   1000
    612.52   6.840     24
    588.28   6.569    803

KBr disc

nujol mull

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