635-12-1

1,4-ANTHRAQUINONE(635-12-1) MS

Product Name1,4-ANTHRAQUINONE

CAS 635-12-1

Molecular FormulaC14H8O2

Molecular Weight208.21

InChIInChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H

InChIKey LSOTZYUVGZKSHR-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=C3C(=C2)C=CC=C3)C(=O)C=C1

Request For Quotation

1,4-ANTHRAQUINONE(635-12-1) MS
Mass

MS-NW-7201          
1,4-anthraquinone
C14H8O2             (Mass of molecular ion:    208)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.5
      26.0       1.2
      39.0       1.6
      49.0       1.0
      50.0       5.5
      51.0       3.1
      52.0       1.0
      53.0       1.4
      61.0       1.8
      62.0       3.3
      62.5       1.7
      63.0      18.3
      63.5       1.7
      74.0       7.1
      75.0       7.2
      75.5       1.5
      76.0      19.2
      76.5       2.0
      77.0       4.1
      86.0       2.2
      87.0       3.3
      90.0       1.5
      91.0       4.2
      98.0       3.5
      99.0       3.5
     100.0       2.4
     101.0       1.0
     104.0       3.3
     122.0       1.0
     125.0       3.1
     126.0      42.8
     127.0       5.7
     150.0       5.2
     151.0       8.4
     152.0      55.5
     153.0       7.6
     154.0      12.5
     155.0       2.0
     179.0       2.3
     180.0      21.4
     181.0       3.3
     207.0       1.8
     208.0     100.0
     209.0      15.7
     210.0       2.5
     224.0       1.4
     240.0       3.2

400 MHz in CDCl3

1,4-ANTHRAQUINONE(635-12-1) MS

¹H NMR	399.65 MHz
C₁₄ H₈ O₂	0.028 g : 0.5 ml CDCl₃
1,4-anthraquinone

    Assign.     Shift(ppm)

      A             8.579
      B             8.039
      C             7.685
      D             7.055

     Hz     ppm     Int.

   3428.34   8.579    487
   3220.52   8.059     22
   3217.62   8.052    123
   3214.42   8.044    112
   3211.52   8.036    116
   3209.84   8.032     38
   3208.01   8.028    131
   3205.26   8.021     22
   3078.77   7.704     27
   3075.71   7.697    239
   3072.36   7.688    159
   3069.46   7.681    164
   3066.10   7.672    217
   2822.72   7.063     24
   2819.52   7.055   1000

DMSO-d6

in CDCl3