605-48-1

9,10-二氯蒽(605-48-1)红外图谱(IR1)

产品名称:9,10-二氯蒽

CAS:605-48-1

分子式:C14H8Cl2

分子量: 247.12

InChI:InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey: FKDIWXZNKAZCBY-UHFFFAOYSA-N

Smiles:C1=C2C(C(Cl)=C3C(=C2Cl)C=CC=C3)=CC=C1

Mass

MS-NW-2566          
9,10-dichloroanthracene
C14H8Cl2            (Mass of molecular ion:    246)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.5
      36.0       1.3
      39.0       1.2
      50.0       1.9
      51.0       1.6
      61.0       1.9
      62.0       2.7
      63.0       2.2
      73.0       1.4
      74.0       6.1
      75.0       6.4
      76.0       1.2
      85.0       1.6
      86.0       2.7
      87.0      11.2
      88.0      12.5
      92.0       1.5
      93.0       1.9
      98.0       4.3
      99.0       3.1
     100.0       1.0
     105.0       6.5
     106.0       2.1
     110.0       4.8
     111.0       3.2
     122.0       2.1
     123.0      13.1
     124.0       7.7
     125.0       1.9
     126.0       1.5
     149.0       4.8
     150.0       7.8
     151.0       1.3
     173.0       1.3
     174.0      15.0
     175.0      18.2
     176.0      79.0
     177.0      11.6
     210.0       8.4
     211.0       8.6
     212.0       4.0
     213.0       2.8
     246.0     100.0
     247.0      15.4
     248.0      62.0
     249.0       9.3
     250.0      10.5
     251.0       1.4

parameter in CDCl3

¹H NMR	300 MHz
C₁₄ H₈ Cl₂	in CDCl₃
9,10-dichloroanthracene

    Parameter     ppm  Hz

      D(A)         8.55
      D(B)         7.64
       J(A,A')         0.5
       J(A,B)          8.9
       J(A,B')         1.1
       J(A',B)         1.1
       J(A',B')        8.9
       J(B,B')         8.0
     
     SHARPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)

     Hz     ppm     Int.

   2575.08   8.584     77
   2574.23   8.581     88
   2570.08   8.567    931
   2566.66   8.556    814
   2563.49   8.545    807
   2560.08   8.534   1000
   2555.88   8.520    102
   2555.11   8.517     90
   2301.90   7.673     90
   2301.13   7.670    102
   2296.93   7.656   1000
   2293.52   7.645    807
   2290.35   7.634    814
   2286.93   7.623    931
   2282.78   7.609     88
   2281.93   7.606     77

CCl4 solution