117-12-4

1，5-二羟基蒽醌(117-12-4)红外图谱(IR1)

产品名称:1，5-二羟基蒽醌

CAS:117-12-4

分子式:C14H8O4

分子量: 240.21

InChI:InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H

InChIKey: JPICKYUTICNNNJ-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3O)=CC=C1

¹HNMR

IR1

IR2

Mass

MS-NW-5695          
1,5-dihydroxyanthraquinone
C14H8O4             (Mass of molecular ion:    240)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.0
      28.0       1.3
      38.0       1.2
      39.0       2.8
      50.0       1.4
      51.0       3.2
      53.0       1.4
      61.0       1.0
      62.0       3.0
      63.0       6.1
      64.0       4.0
      65.0       1.6
      69.0       1.2
      74.0       2.0
      75.0       3.0
      76.0       1.7
      77.0       2.3
      77.5       1.1
      78.0       1.2
      79.0       1.3
      83.0       1.0
      86.0       1.3
      87.0       1.5
      91.0       2.2
      92.0       9.7
      93.0       1.5
     101.0       1.9
     102.0       2.7
     106.0       1.0
     119.0       2.6
     120.0       4.2
     121.0       1.9
     126.0       2.2
     127.0       4.4
     128.0       6.3
     129.0       1.2
     137.0       1.0
     138.0       4.3
     139.0       2.6
     155.0       5.8
     156.0       2.6
     168.0       1.2
     183.0       1.5
     184.0      14.0
     185.0       2.0
     211.0       1.9
     212.0      11.0
     213.0       1.6
     223.0       6.6
     224.0       4.6
     239.0       6.0
     240.0     100.0
     241.0      16.0
     242.0       2.1
     256.0       2.8

parameter in CDCl3

¹H NMR	300 MHz
C₁₄ H₈ O₄	5 mol% in CDCl₃
1,5-dihydroxyanthraquinone

    Parameter     ppm  Hz

      D(A)         7.818
      D(B)         7.665
      D(C)         7.284
      D(D)        12.012
       J(A,B)          7.51
       J(A,C)          1.15
       J(A,D)          0.0
       J(B,C)          8.48
       J(B,D)          0.41
       J(C,D)          0.0
     
     CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)

     Hz     ppm     Int.

   3603.61  12.012   1000
   2350.04   7.833    289
   2348.90   7.830    298
   2342.56   7.809    407
   2341.42   7.805    406
   2307.36   7.691    276
   2299.04   7.663    352
   2291.47   7.638    220
   2189.86   7.300    378
   2188.71   7.296    373
   2181.41   7.271    327
   2180.27   7.268    322

KBr disc