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Back ChemicalBook Home>CAS DataBase List>1532-72-5More Spectrum> ISOQUINOLINE N-OXIDE(1532-72-5) IR1

ISOQUINOLINE N-OXIDE(1532-72-5) IR1

Molecular FormulaC9H7NO

Molecular Weight145.16

InChIInChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey RZIAABRFQASVSW-UHFFFAOYSA-N

SmilesC1=C2C(C=CC=C2)=CC=[N+]1[O-]


  • Mass

    MS-IW-0694          
    isoquinoline 2-oxide
    C9H7NO              (Mass of molecular ion:    145)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          39.0       3.2
          50.0       3.0
          51.0       5.2
          52.0       1.1
          62.0       2.8
          63.0       8.0
          64.0       2.7
          65.0       1.1
          72.5       4.2
          74.0       2.2
          75.0       4.4
          76.0       3.9
          77.0       2.9
          87.0       1.1
          88.0       1.9
          89.0      28.3
          90.0      33.8
          91.0       2.9
         101.0       4.9
         102.0       8.6
         103.0       2.2
         113.0       1.6
         114.0       1.2
         115.0       1.5
         116.0       4.4
         117.0       4.7
         118.0      26.8
         119.0       2.4
         128.0       7.7
         129.0      24.6
         130.0       2.6
         145.0     100.0
         146.0      10.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9H7NO 0.040 g : 0.5 ml CDCl3
    isoquinoline 2-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.777 B 8.145 C 7.794 D 7.721 E 7.681 F *1 7.62 G *1 7.60

         Hz     ppm     Int.
    

       3508.55   8.777    959
       3260.50   8.156    667
       3258.79   8.152    669
       3253.42   8.138    720
       3251.71   8.134    712
       3120.24   7.805    470
       3119.88   7.804    453
       3112.92   7.787    540
       3111.46   7.783    518
       3105.60   7.769     43
       3091.68   7.734    382
       3089.97   7.730    445
       3084.36   7.716    380
       3082.65   7.711    638
       3074.10   7.690    776
       3067.02   7.672    719
       3055.06   7.642    248
       3053.59   7.639    332
       3048.10   7.625    744
       3046.51   7.621    654
       3042.49   7.611    779
       3040.78   7.607    964
       3040.29   7.605   1000
       3038.58   7.601    581
       3034.80   7.592    595
       3033.21   7.588    636
       3027.71   7.574    240
       3026.25   7.570    194
    

in CDCl3



KBr disc



nujol mull





ISOQUINOLINE N-OXIDE(1532-72-5) IR1 Atlas of Related Products

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