34824-20-9

1,8-双(羟甲基)蒽(34824-20-9)核磁图(¹³CNMR)

产品名称:1,8-双(羟甲基)蒽

CAS:34824-20-9

分子式:C16H14O2

分子量: 238.28

InChI:InChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2

InChIKey: GSHJWFSWKUADLL-UHFFFAOYSA-N

Smiles:C1(CO)=C2C(C=C3C(=C2)C(CO)=CC=C3)=CC=C1

Mass

MS-KW-0566          
1,8-anthracenedimethanol
C16H14O2            (Mass of molecular ion:    238)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.9
      28.0       1.2
      39.0       1.2
      51.0       1.4
      63.0       2.4
      74.0       1.3
      75.0       2.6
      76.0       4.4
      77.0       1.1
      81.0       1.0
      81.5       2.1
      82.0       2.5
      82.5       4.5
      83.0       1.6
      87.0       1.7
      88.0       4.5
      88.5       1.2
      89.0       4.4
      93.5       1.8
      94.0       2.5
      94.5       6.8
      95.0       5.9
      95.5       4.2
      96.0       4.9
      97.0       1.7
     100.0       1.0
     101.0       1.7
     102.5       1.6
     103.0       1.5
     104.0       1.9
     104.5       1.1
     109.0       5.5
     109.5       2.6
     110.0       7.7
     110.5       1.5
     115.0       1.4
     118.0       1.0
     126.0       1.1
     139.0       1.7
     150.0       2.8
     151.0       4.3
     152.0       5.1
     153.0       1.1
     163.0       3.1
     164.0       1.7
     165.0       8.6
     166.0       2.0
     174.0       1.3
     175.0       1.7
     176.0       8.9
     177.0       6.7
     178.0      29.8
     179.0      25.2
     180.0       4.0
     187.0       3.1
     188.0       2.9
     189.0      24.6
     190.0      16.2
     191.0      68.5
     192.0      32.8
     193.0       6.4
     194.0       1.5
     201.0       1.4
     202.0       3.4
     203.0       2.7
     204.0       1.7
     205.0       4.9
     206.0       5.7
     207.0       4.6
     208.0       1.6
     209.0       1.8
     218.0       1.1
     219.0      23.0
     220.0      31.8
     221.0      14.8
     222.0       6.9
     223.0       1.3
     236.0       4.3
     237.0       1.7
     238.0     100.0
     239.0      17.5
     240.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆H₁₄O₂	0.030 g : 0.5 ml DMSO-d₆
1,8-anthracenedimethanol

    Assign.     Shift(ppm)

     A           8.776
     B           8.580
     C           7.979
     D           7.591
     E           7.483
     F           5.44
     G           5.155

     Hz     ppm     Int.

   3508.31   8.776    124
   3429.94   8.580    156
   3194.10   7.990    121
   3185.55   7.969    131
   3038.82   7.602     99
   3037.85   7.599    105
   3032.11   7.585    139
   3031.13   7.582    139
   3002.57   7.511    147
   2995.85   7.494    114
   2994.15   7.490    143
   2987.43   7.473     99
   2180.91   5.456    123
   2175.30   5.442    306
   2169.80   5.428    146
   2063.36   5.162    283
   2057.87   5.148    254
   1368.54   3.424   1000

in DMSO-d6