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Back ChemicalBook Home>CAS DataBase List>1658-08-8More Spectrum> 1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE(1658-08-8) IR2

1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE(1658-08-8) IR2

Molecular FormulaC13H17N

Molecular Weight187.28

InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2

InChIKey LLCXJIQXTXEQID-UHFFFAOYSA-N

SmilesC1C2C(=NC3=C(C=2)CCCC3)CCC1


  • Mass

    MS-NW-3294          
    1,2,3,4,5,6,7,8-octahydroacridine
    C13H17N             (Mass of molecular ion:    187)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.3
          39.0       4.7
          41.0       3.5
          50.0       1.1
          51.0       3.4
          52.0       1.6
          53.0       2.0
          63.0       2.2
          64.0       1.0
          65.0       3.8
          65.5       1.2
          71.5       1.6
          72.0       1.6
          76.0       1.0
          77.0       5.2
          77.5       1.5
          78.0       2.4
          78.5       1.7
          79.0       2.3
          79.5       1.0
          83.5       1.3
          84.5       1.0
          89.0       1.6
          91.0       5.8
          92.0       1.0
         103.0       2.0
         104.0       1.3
         105.0       1.1
         115.0       3.3
         116.0       2.0
         117.0       3.4
         118.0       1.8
         128.0       1.6
         129.0       1.1
         130.0       4.8
         131.0       5.2
         132.0       1.7
         133.0       1.3
         142.0       1.5
         143.0       4.2
         144.0       6.6
         145.0       3.3
         146.0       5.3
         147.0       1.0
         154.0       1.1
         156.0       2.7
         157.0       1.7
         158.0      15.1
         159.0      25.6
         160.0       4.4
         168.0       1.3
         170.0       2.1
         171.0       2.6
         172.0      13.6
         173.0       2.4
         182.0       1.1
         184.0       4.3
         185.0       2.8
         186.0      85.6
         187.0     100.0
         188.0      14.0
         189.0       1.0
         200.0       1.1
         201.0       1.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H17 N 0.047 g : 0.5 ml CDCl3
    1,2,3,4,5,6,7,8-octahydroacridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.019 B 2.848 C 2.683 D 1.859 E 1.769

         Hz     ppm     Int.
    

       2805.30   7.020    558
       1157.47   2.897     36
       1156.74   2.895     37
       1144.65   2.865    550
       1138.43   2.849   1000
       1131.84   2.833    562
       1091.67   2.732     32
       1078.61   2.699    543
       1072.02   2.683    917
       1065.92   2.668    499
        756.47   1.893    250
        753.17   1.885    240
        750.12   1.877    497
        746.70   1.869    472
        745.00   1.865    653
        741.21   1.855    460
        740.72   1.854    451
        738.89   1.849    698
        735.84   1.842    173
        734.38   1.838    230
        732.30   1.833    266
        729.37   1.826    108
        724.85   1.814     73
        720.34   1.803    133
        717.04   1.795    303
        714.97   1.789    300
        713.62   1.786    212
        710.69   1.779    740
        708.62   1.774    508
        704.59   1.764    650
        702.39   1.758    413
        699.58   1.751    475
        696.29   1.743    190
        693.48   1.736    165
    

in CDCl3



KBr disc



nujol mull



1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE(1658-08-8) IR2 Atlas of Related Products

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