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Back ChemicalBook Home>CAS DataBase List>1714-29-0More Spectrum> 1-Bromopyrene(1714-29-0) 13C NMR

1-Bromopyrene(1714-29-0) 13C NMR

Product Name1-Bromopyrene

CAS1714-29-0

Molecular FormulaC16H9Br

Molecular Weight281.15

InChIInChI=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

SmilesC1(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
    ChemicalStructure
        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



KBr disc



nujol mull





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