17241-59-7

2-羟甲基蒽醌(17241-59-7)核磁图(¹³CNMR)

产品名称:2-羟甲基蒽醌

CAS:17241-59-7

分子式:C15H10O3

分子量: 238.24

InChI:InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2

InChIKey: JYKHAJGLEVKEAA-UHFFFAOYSA-N

Smiles:C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1CO

Mass

MS-NW-6189          
2-(hydroxymethyl)anthraquinone
C15H10O3            (Mass of molecular ion:    238)

   Source Temperature: 220 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       4.0
      27.0       1.0
      28.0       2.0
      29.0       2.2
      31.0       1.7
      39.0       2.4
      50.0       5.6
      51.0       5.3
      52.0       1.0
      53.0       1.3
      62.0       2.1
      63.0       3.7
      69.5       1.1
      74.0       5.0
      75.0       9.0
      75.5       2.3
      76.0      10.9
      76.5       1.0
      77.0      10.8
      78.0       1.6
      81.5       1.7
      82.0       2.7
      82.5       1.8
      86.0       1.5
      87.0       2.2
      89.0       1.5
      90.0       1.4
      90.5       1.2
      98.0       1.3
      99.0       1.8
     101.0       1.5
     102.0       1.1
     103.0       1.3
     104.0       3.1
     105.0      10.1
     106.0       1.0
     115.0       1.3
     119.0       1.4
     125.0       1.7
     126.0       2.6
     127.0       2.5
     133.0       1.1
     139.0       1.5
     150.0       8.3
     151.0      21.2
     152.0      28.9
     153.0      20.3
     154.0       4.1
     163.0       5.1
     164.0      10.6
     165.0      10.1
     166.0       2.8
     179.0       4.1
     180.0       3.8
     181.0      24.4
     182.0       4.7
     192.0      10.4
     193.0       6.5
     194.0       5.6
     207.0       8.0
     208.0       2.8
     209.0     100.0
     210.0      25.8
     211.0       3.4
     220.0       1.4
     221.0       2.7
     222.0       9.2
     223.0       1.8
     235.0      15.5
     236.0      17.7
     237.0       9.7
     238.0      75.4
     239.0      13.0
     240.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₀ O₃	0.033 g : 0.5 ml DMSO-d₆
2-(hydroxymethyl)anthraquinone

    Assign.     Shift(ppm)

      A             8.15
      B             8.113
      C             8.110
      D             7.89
      E             7.810
      F             5.62
      G             4.707

     Hz     ppm     Int.

   3262.21   8.163    405
   3259.28   8.156    637
   3256.35   8.149    639
   3254.03   8.143    471
   3253.17   8.141    640
   3250.12   8.133    527
   3245.36   8.121    847
   3243.41   8.116    740
   3242.92   8.115    735
   3242.07   8.113    731
   3241.70   8.112    730
   3237.55   8.101    853
   3163.70   7.917    127
   3162.84   7.915    102
   3159.30   7.906    954
   3156.37   7.898    594
   3155.52   7.896    557
   3153.81   7.892    591
   3150.15   7.883    838
   3145.75   7.872     93
   3125.85   7.822    413
   3125.00   7.820    374
   3124.27   7.818    362
   3117.80   7.802    357
   3116.94   7.800    334
   3116.21   7.798    324
   2251.95   5.635    408
   2246.22   5.621    899
   2240.48   5.607    428
   1883.91   4.714   1000
   1878.17   4.700    977

in DMSO-d6