17422-33-2

6-氯吲哚(17422-33-2)红外图谱(IR1)

产品名称:6-氯吲哚

CAS:17422-33-2

分子式:C8H6ClN

分子量: 151.59

InChI:InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC(Cl)=C2)C=C1

Mass

MS-IW-1320          
6-chloroindole
C8H6ClN             (Mass of molecular ion:    151)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.4
      57.5       4.9
      58.0       1.1
      62.0       2.7
      63.0       4.5
      73.0       1.5
      75.0       1.0
      75.5      10.2
      76.0       1.3
      76.5       3.4
      87.0       1.6
      88.0       2.0
      89.0      21.2
      90.0       2.1
     114.0       1.9
     115.0       4.8
     116.0      15.4
     117.0       1.4
     123.0       4.3
     124.0      14.0
     125.0       2.4
     126.0       4.6
     150.0       3.6
     151.0     100.0
     152.0      10.2
     153.0      32.5
     154.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ Cl N	0.039 g : 0.5 ml CDCl₃
6-chloroindole

    Assign.     Shift(ppm)

      A             8.00
      B             7.526
      C             7.310
      D             7.122
      E             7.085
      F             6.507

     Hz     ppm     Int.

   3193.12   7.990     85
   3012.21   7.538    865
   3003.78   7.517    953
   2923.10   7.315    663
   2922.49   7.313    840
   2922.12   7.312    806
   2921.51   7.311    970
   2920.65   7.309    880
   2919.80   7.306    649
   2849.24   7.130    783
   2846.80   7.124    865
   2846.07   7.122    904
   2843.63   7.116    791
   2840.94   7.109     40
   2836.43   7.098   1000
   2834.59   7.093    973
   2830.32   7.082     41
   2828.00   7.077    916
   2826.17   7.072    892
   2603.64   6.515    476
   2602.66   6.513    520
   2601.56   6.510    552
   2600.59   6.508    818
   2599.37   6.505    536
   2598.39   6.502    514
   2597.41   6.500    475

in CDCl3