1-HYDROXY-4-NITROANTHRAQUINONE(81-65-2) ¹³C NMR

Product Name1-HYDROXY-4-NITROANTHRAQUINONE

CAS 81-65-2

Molecular FormulaC14H7NO5

Molecular Weight269.21

InChIInChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H

InChIKey XXUOKOYLVBHBCG-UHFFFAOYSA-N

SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C([N+]([O-])=O)C=C1

Request For Quotation

Mass

MS-IW-3661          
1-hydroxy-4-nitroanthraquinone
C14H7NO5            (Mass of molecular ion:    269)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.4
      28.0       1.3
      30.0       1.8
      39.0       2.0
      50.0       3.6
      51.0       2.5
      53.0       1.4
      61.0       1.2
      62.0       4.1
      63.0       6.5
      65.0       1.3
      69.0       1.9
      69.5       3.5
      74.0       3.5
      75.0       4.7
      76.0       5.1
      77.0       4.9
      83.0       1.3
      86.0       2.4
      87.0       3.7
      88.0       1.9
      89.0       5.5
      90.0       1.4
      91.0       2.5
      98.0       1.7
      99.0       1.8
     101.0       2.9
     104.0       1.7
     105.0       2.8
     110.0       1.0
     111.0       1.5
     112.0       1.2
     113.0       5.7
     126.0       2.2
     127.0       6.7
     128.0       1.2
     129.0       1.3
     137.0       4.3
     138.0       7.0
     139.0      42.3
     140.0       5.4
     155.0       4.5
     167.0      11.1
     168.0       1.6
     171.0       1.2
     183.0      12.6
     184.0       1.8
     195.0      11.8
     196.0       2.3
     211.0      22.8
     212.0       3.5
     222.0       1.5
     223.0       2.5
     239.0      38.6
     240.0       6.3
     241.0       1.0
     253.0       1.3
     269.0     100.0
     270.0      16.0
     271.0       2.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₇ N O₅	saturated in DMSO-d₆
1-hydroxy-4-nitroanthraquinone

    Assign.     Shift(ppm)

      A             8.251
      B             8.129
      C             8.093
      D     *1      8.00
      E     *1      7.98
      F             7.546

     Hz     ppm     Int.

   3302.49   8.264    395
   3299.93   8.258    305
   3298.95   8.255    277
   3297.24   8.251    271
   3295.04   8.245    328
   3293.46   8.241    503
   3291.50   8.236     62
   3290.65   8.234     62
   3289.67   8.232     90
   3254.03   8.143    379
   3251.95   8.137    271
   3249.63   8.132    282
   3248.29   8.128    311
   3247.80   8.127    294
   3247.44   8.126    299
   3244.87   8.120    503
   3242.80   8.115     68
   3242.43   8.114     68
   3241.82   8.112     79
   3239.14   8.105    915
   3230.10   8.083    989
   3205.93   8.022     68
   3204.96   8.020     79
   3204.59   8.019     85
   3202.51   8.014    181
   3201.29   8.011     79
   3200.93   8.010     79
   3200.44   8.009     90
   3199.71   8.007     90
   3197.27   8.001    605
   3195.43   7.996    859
   3191.89   7.987    960
   3188.60   7.979    701
   3186.65   7.974    418
   3181.15   7.960    119
   3178.96   7.955     79
   3020.26   7.558   1000
   3011.35   7.535    944

in DMSO-d6