1714-29-0

1-溴芘(1714-29-0)核磁图(¹³CNMR)

产品名称:1-溴芘

CAS:1714-29-0

分子式:C16H9Br

分子量: 281.15

InChI:InChI=1S/C16H9Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

InChIKey: HYGLETVERPVXOS-UHFFFAOYSA-N

Smiles:C1(Br)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1

Mass

MS-IW-2619          
1-bromopyrene
C16H9Br             (Mass of molecular ion:    280)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      74.0       2.3
      75.0       1.3
      86.0       1.3
      87.0       5.8
      87.5       1.3
      98.0       1.5
      99.0       6.9
      99.5       6.4
     100.0      34.6
     100.5      21.0
     101.0       3.4
     140.0      12.2
     140.5       2.3
     141.0      12.1
     141.5       2.1
     150.0       2.0
     151.0       1.2
     174.0       3.0
     175.0       2.3
     198.0       5.6
     199.0       7.6
     200.0      39.0
     201.0      52.4
     202.0       9.2
     280.0     100.0
     281.0      18.2
     282.0      98.2
     283.0      17.2
     284.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₉ Br	0.033 g : 0.5 ml CDCl₃
1-bromopyrene

    Assign.     Shift(ppm)

      A             8.350
      B             8.16
      C             8.14
      D             8.077
      E     *1      8.00
      F             7.98
      G     *1      7.925
      J             7.911
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3342.16   8.363    487
   3333.01   8.340    575
   3264.53   8.169    654
   3258.06   8.153    339
   3256.35   8.149   1000
   3250.73   8.134    435
   3249.02   8.130    448
   3232.42   8.089    520
   3223.14   8.065    444
   3202.03   8.013    350
   3193.24   7.991    690
   3188.84   7.980     36
   3186.28   7.973    529
   3178.59   7.954    281
   3170.41   7.933    594
   3165.53   7.921    483
   3161.50   7.911    351
   3157.35   7.901    419

in CDCl3