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Back ChemicalBook Home>CAS DataBase List>4985-70-0More Spectrum> 1-CHLOROANTHRACENE(4985-70-0) IR1

4985-70-0

1-CHLOROANTHRACENE(4985-70-0) IR1

Product Name1-CHLOROANTHRACENE

CAS4985-70-0

Molecular FormulaC14H9Cl

Molecular Weight212.67

InChIInChI=1S/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H

InChIKey SRIHSAFSOOUEGL-UHFFFAOYSA-N

SmilesC1(Cl)=C2C(C=C3C(=C2)C=CC=C3)=CC=C1

  • 1-CHLOROANTHRACENE(4985-70-0) IR1
    Mass

    MS-NW-7174          
    1-chloroanthracene
    C14H9Cl             (Mass of molecular ion:    212)
    

       Source Temperature: 210 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          50.0       1.2
          51.0       1.3
          62.0       1.8
          63.0       1.6
          74.0       2.6
          75.0       6.6
          75.5       1.8
          76.0       1.7
          86.0       1.1
          87.0       4.6
          87.5       2.7
          88.0      16.8
          88.5       4.0
          93.0       4.4
          94.0       1.5
          98.0       1.4
          99.0       1.4
         106.0      14.7
         106.5       2.6
         107.0       4.7
         126.0       1.3
         149.0       1.4
         150.0       5.2
         151.0       6.8
         152.0       1.2
         174.0       3.6
         175.0       5.0
         176.0      24.3
         177.0      11.3
         178.0       2.4
         212.0     100.0
         213.0      15.7
         214.0      33.8
         215.0       5.4
    

400 MHz in CDCl3

  • 1-CHLOROANTHRACENE(4985-70-0) IR1

    1H NMR 399.65 MHz
    C14 H9 Cl 0.038 g : 0.5 ml CDCl3
    1-chloroanthracene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.785 B 8.367 C *1 8.033 D *1 7.953 E 7.864 F 7.529 G *2 7.49 J *2 7.47 K 7.306 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       3510.99   8.786    950
       3503.78   8.768     31
       3502.69   8.765     30
       3502.08   8.763     32
       3344.12   8.368   1000
       3215.09   8.045    313
       3211.79   8.037    305
       3209.96   8.032    261
       3205.44   8.021    342
       3184.20   7.968    329
       3179.08   7.955    276
       3177.73   7.952    321
       3174.56   7.944    332
       3147.46   7.876    514
       3138.92   7.855    552
       3023.56   7.566     30
       3022.71   7.564     30
       3013.43   7.541    576
       3006.35   7.523    687
       2997.44   7.501    213
       2993.53   7.491    911
       2990.97   7.484    587
       2989.62   7.481    591
       2987.55   7.476    600
       2986.21   7.473    538
       2983.76   7.466    829
       2981.08   7.460    164
       2979.74   7.456    150
       2975.34   7.445     46
       2974.00   7.442     38
       2972.29   7.438     32
       2927.73   7.326    473
       2920.41   7.308    656
       2918.70   7.304    836
       2912.11   7.287    379
    

in CDCl3

  • 1-CHLOROANTHRACENE(4985-70-0) IR1

KBr disc

  • 1-CHLOROANTHRACENE(4985-70-0) IR1

  • 1-CHLOROANTHRACENE(4985-70-0) IR1

1-CHLOROANTHRACENE(4985-70-0) IR1 Atlas of Related Products

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