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723-62-6

9-蒽甲酸(723-62-6)红外图谱(IR1)

产品名称:9-蒽甲酸

CAS:723-62-6

分子式:C15H10O2

分子量: 222.24

InChI:InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

Smiles:C1=C2C(C=C3C(=C2C(O)=O)C=CC=C3)=CC=C1

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    Mass

    MS-NW-2404          
    9-anthracenecarboxylic acid
    C15H10O2            (Mass of molecular ion:    222)
    

       Source Temperature: 240 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.5
          18.0       7.9
          28.0       2.4
          39.0       1.2
          44.0      10.7
          50.0       1.4
          51.0       1.6
          62.0       1.6
          63.0       3.1
          74.0       2.6
          75.0       4.9
          76.0       6.9
          77.0       1.0
          82.0       2.1
          82.5       1.9
          83.0       1.1
          86.0       1.1
          87.0       2.7
          87.5       1.1
          88.0      10.4
          88.5       3.1
          89.0       7.8
          89.5       1.0
          97.0       2.0
          98.0       1.5
          99.0       1.1
         111.0       2.1
         126.0       1.6
         139.0       1.4
         149.0       1.0
         150.0       5.1
         151.0       8.6
         152.0       5.8
         163.0       1.4
         164.0       1.0
         165.0       7.8
         166.0       2.4
         174.0       2.2
         175.0       3.5
         176.0      23.7
         177.0      24.6
         178.0     100.0
         179.0      14.9
         180.0       1.1
         194.0       4.6
         205.0      15.4
         206.0       2.8
         212.0       2.3
         221.0       1.6
         222.0      54.3
         223.0       8.9
         256.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C15 H10 O2 0.019 g : 0.5 ml DMSO-d6
    9-anthracenecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.98 B 8.737 C 8.166 D 8.084 E 7.645 F 7.589

         Hz     ppm     Int.
    

       5585.48  13.976     59
       3497.93   8.753     31
       3497.56   8.752     35
       3491.70   8.737    942
       3274.28   8.193     47
       3273.73   8.192     53
       3273.37   8.191     58
       3272.27   8.188     71
       3271.35   8.186     89
       3268.06   8.178    899
       3263.29   8.166    110
       3260.18   8.158    880
       3259.63   8.157    964
       3258.90   8.155    877
       3254.69   8.144     58
       3253.77   8.142     49
       3252.85   8.140     43
       3252.49   8.139     42
       3251.94   8.137     37
       3251.39   8.136     36
       3250.47   8.134     34
       3249.92   8.132     35
       3249.37   8.131     36
       3248.64   8.129     39
       3248.27   8.128     38
       3247.91   8.127     41
       3247.36   8.126     38
       3246.81   8.125     38
       3246.44   8.124     37
       3245.71   8.122     37
       3245.16   8.121     34
       3244.79   8.120     32
       3244.25   8.118     31
       3243.70   8.117     32
       3243.15   8.115     36
       3242.60   8.114     39
       3241.68   8.112     44
       3239.85   8.107     65
       3235.27   8.096    834
       3234.54   8.094    897
       3229.96   8.082     99
       3226.66   8.074    945
       3225.75   8.072   1000
       3221.17   8.060     45
       3071.70   7.686     30
       3071.15   7.685     34
       3070.79   7.684     32
       3069.69   7.681     37
       3069.14   7.680     40
       3068.77   7.679     39
       3068.41   7.678     38
       3067.67   7.676     47
       3064.38   7.668    447
       3063.09   7.665    538
       3057.96   7.652    795
       3056.50   7.648    835
       3054.30   7.643    495
       3051.74   7.637    112
       3051.19   7.635    111
       3049.17   7.630    769
       3047.89   7.627    732
       3045.14   7.620     95
       3044.23   7.618     85
       3043.68   7.616     93
       3042.58   7.614     89
       3039.83   7.607    695
       3038.73   7.604    797
       3033.24   7.590    479
       3031.59   7.586    796
       3030.49   7.583    744
       3024.99   7.570    428
       3023.90   7.567    421
       3020.60   7.559     39
       3019.87   7.557     33
       3019.50   7.556     30
       3019.13   7.555     31
    

in DMSO-d6

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KBr disc

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nujol mull

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